ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate

C23H22N2O2 — CID 102424290

IUPACethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate
SMILESCCOC(=O)C=C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C23H22N2O2/c1-4-27-23(26)13-18(19-14-24(2)21-11-7-5-9-16(19)21)20-15-25(3)22-12-8-6-10-17(20)22/h5-15H,4H2,1-3H3
InChIKeyAFGMYHNSBGGFGK-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.66
Rot. Bonds4

About ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate

ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate (PubChem CID 102424290) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate
PubChem CID102424290
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Nameethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate
SMILESCCOC(=O)C=C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C23H22N2O2/c1-4-27-23(26)13-18(19-14-24(2)21-11-7-5-9-16(19)21)20-15-25(3)22-12-8-6-10-17(20)22/h5-15H,4H2,1-3H3
InChIKeyAFGMYHNSBGGFGK-UHFFFAOYSA-N
XLogP4.66
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(1-methylindol-3-yl)-3-oxo-2-phenylpropanoate
CID 132558109
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179
1-methylindole-3-carbothioic S-acid
CID 116918837
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
hexyl 1-methylindole-3-carboxylate
CID 135057842
chloro 1-methylindole-3-carboxylate
CID 69132264
(1,2-dimethylindol-3-yl)-(1-methylindol-3-yl)methanone
CID 23544603
triethyl (2R)-2-(1-methylindol-3-yl)ethane-1,1,2-tricarboxylate
CID 11696471
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
3-methoxy-1-(1-methylindol-3-yl)propan-1-one
CID 174243239
furan-3-yl-(1-methylindol-3-yl)methanone
CID 43463454

Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate?
The IUPAC name of ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate (CID 102424290) is ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate?
The canonical SMILES for ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate is CCOC(=O)C=C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12.
What is the InChIKey of ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate?
The InChIKey is AFGMYHNSBGGFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-4-27-23(26)13-18(19-14-24(2)21-11-7-5-9-16(19)21)20-15-25(3)22-12-8-6-10-17(20)22/h5-15H,4H2,1-3H3.
What are the key properties of ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate?
ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate has a molecular weight of 358.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-bis(1-methylindol-3-yl)prop-2-enoate is sourced from PubChem (CID 102424290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).