anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione

C67H70N8O12 — CID 159526337

IUPACanthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione
SMILESC=C(C)C(=O)OCc1c2ccccc2cc2ccccc12.C=Cc1ccc(OC(C)OCC)cc1.C=Cc1ccc2cc(OC(C)=O)ccc2c1.C=Cc1nc(N)nc(N)n1.CC(C)(C)N1C(=O)C=CC1=O.CN1C(=O)C=CC1=O.O=C1C=CC(=O)N1
InChIInChI=1S/C19H16O2.C14H12O2.C12H16O2.C8H11NO2.C5H7N5.C5H5NO2.C4H3NO2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18;1-3-11-4-5-13-9-14(16-10(2)15)7-6-12(13)8-11;1-4-11-6-8-12(9-7-11)14-10(3)13-5-2;1-8(2,3)9-6(10)4-5-7(9)11;1-2-3-8-4(6)10-5(7)9-3;1-6-4(7)2-3-5(6)8;6-3-1-2-4(7)5-3/h3-11H,1,12H2,2H3;3-9H,1H2,2H3;4,6-10H,1,5H2,2-3H3;4-5H,1-3H3;2H,1H2,(H4,6,7,8,9,10);2-3H,1H3;1-2H,(H,5,6,7)
InChIKeyMCKSEPJDUGSXDW-UHFFFAOYSA-N
MW1179.34 g/mol
LogP10.24
Rot. Bonds11

About anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione

anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione (PubChem CID 159526337) has the molecular formula C67H70N8O12 and a molecular weight of 1179.34 g/mol. Its IUPAC name is anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione.

Molecular Properties

Compound Nameanthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione
PubChem CID159526337
Molecular FormulaC67H70N8O12
Molecular Weight1179.34 g/mol
Exact Mass1178.51
IUPAC Nameanthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione
SMILESC=C(C)C(=O)OCc1c2ccccc2cc2ccccc12.C=Cc1ccc(OC(C)OCC)cc1.C=Cc1ccc2cc(OC(C)=O)ccc2c1.C=Cc1nc(N)nc(N)n1.CC(C)(C)N1C(=O)C=CC1=O.CN1C(=O)C=CC1=O.O=C1C=CC(=O)N1
InChIInChI=1S/C19H16O2.C14H12O2.C12H16O2.C8H11NO2.C5H7N5.C5H5NO2.C4H3NO2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18;1-3-11-4-5-13-9-14(16-10(2)15)7-6-12(13)8-11;1-4-11-6-8-12(9-7-11)14-10(3)13-5-2;1-8(2,3)9-6(10)4-5-7(9)11;1-2-3-8-4(6)10-5(7)9-3;1-6-4(7)2-3-5(6)8;6-3-1-2-4(7)5-3/h3-11H,1,12H2,2H3;3-9H,1H2,2H3;4,6-10H,1,5H2,2-3H3;4-5H,1-3H3;2H,1H2,(H4,6,7,8,9,10);2-3H,1H3;1-2H,(H,5,6,7)
InChIKeyMCKSEPJDUGSXDW-UHFFFAOYSA-N
XLogP10.24
TPSA282.70 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001179.34
LogP ≤ 510.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione with MolForge

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Related Compounds

1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;1-ethenyl-4-(1-ethoxyethoxy)benzene;bis(2-naphthalen-2-ylpropan-2-yl 2,2-dimethylbutanoate);2-naphthalen-2-ylpropan-2-yl 2-methylprop-2-enoate
CID 157147652
tetracen-5-ylmethyl 2-methylprop-2-enoate
CID 59584223
tert-butyl 2-methylprop-2-enoate;4-[4-[4-(1-ethoxyethoxy)phenyl]buta-1,3-dienyl]phenol
CID 87583156
methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene
CID 175334987
[6-(1-ethoxyethoxy)naphthalen-2-yl] 2-iodo-2-methylbutanoate
CID 126556606
1-butan-2-yl-4-(1-ethoxyethoxy)benzene;4-butan-2-ylphenol;1-ethenyl-4-(1-ethoxyethoxy)benzene;bis((2-methyl-2-bicyclo[4.1.0]heptanyl) 2,2-dimethylbutanoate);(2-methyl-2-bicyclo[4.1.0]heptanyl) 2-methylprop-2-enoate
CID 158769908
anthracen-9-ylmethyl acetate
CID 27876
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
[7-(1-hydroxyprop-2-enoxy)phenanthren-2-yl] acetate
CID 123606446
anthracen-9-ylmethyl 2-bromo-2-methylpropanoate
CID 71362067
9'-(1-ethoxyethoxy)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one
CID 146600223
3-anthracen-1-ylpropyl 2-methylprop-2-enoate
CID 164705675

Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione?
The IUPAC name of anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione (CID 159526337) is anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione.
What is the SMILES notation for anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione?
The canonical SMILES for anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione is C=C(C)C(=O)OCc1c2ccccc2cc2ccccc12.C=Cc1ccc(OC(C)OCC)cc1.C=Cc1ccc2cc(OC(C)=O)ccc2c1.C=Cc1nc(N)nc(N)n1.CC(C)(C)N1C(=O)C=CC1=O.CN1C(=O)C=CC1=O.O=C1C=CC(=O)N1.
What is the InChIKey of anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione?
The InChIKey is MCKSEPJDUGSXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2.C14H12O2.C12H16O2.C8H11NO2.C5H7N5.C5H5NO2.C4H3NO2/c1-13(2)19(20)21-12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18;1-3-11-4-5-13-9-14(16-10(2)15)7-6-12(13)8-11;1-4-11-6-8-12(9-7-11)14-10(3)13-5-2;1-8(2,3)9-6(10)4-5-7(9)11;1-2-3-8-4(6)10-5(7)9-3;1-6-4(7)2-3-5(6)8;6-3-1-2-4(7)5-3/h3-11H,1,12H2,2H3;3-9H,1H2,2H3;4,6-10H,1,5H2,2-3H3;4-5H,1-3H3;2H,1H2,(H4,6,7,8,9,10);2-3H,1H3;1-2H,(H,5,6,7).
What are the key properties of anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione?
anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione has a molecular weight of 1179.34 g/mol, XLogP of 10.24, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl 2-methylprop-2-enoate;1-tert-butylpyrrole-2,5-dione;1-ethenyl-4-(1-ethoxyethoxy)benzene;(6-ethenylnaphthalen-2-yl) acetate;6-ethenyl-1,3,5-triazine-2,4-diamine;1-methylpyrrole-2,5-dione;pyrrole-2,5-dione is sourced from PubChem (CID 159526337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).