1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole]

C22H24N2O3 — CID 15476333

IUPAC1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole]
SMILESC=CCc1cc([N+](=O)[O-])cc2c1OC1(CC2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C22H24N2O3/c1-5-8-15-13-17(24(25)26)14-16-11-12-22(27-20(15)16)21(2,3)18-9-6-7-10-19(18)23(22)4/h5-7,9-10,13-14H,1,8,11-12H2,2-4H3
InChIKeyFCXVPEZDBCHHPX-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.77
Rot. Bonds3

About 1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole]

1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole] (PubChem CID 15476333) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole].

Molecular Properties

Compound Name1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole]
PubChem CID15476333
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole]
SMILESC=CCc1cc([N+](=O)[O-])cc2c1OC1(CC2)N(C)c2ccccc2C1(C)C
InChIInChI=1S/C22H24N2O3/c1-5-8-15-13-17(24(25)26)14-16-11-12-22(27-20(15)16)21(2,3)18-9-6-7-10-19(18)23(22)4/h5-7,9-10,13-14H,1,8,11-12H2,2-4H3
InChIKeyFCXVPEZDBCHHPX-UHFFFAOYSA-N
XLogP4.77
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1',3',3'-trimethylspiro[3,4-dihydrochromene-2,2'-indole]
CID 101163614
1'-[(4-fluorophenyl)methyl]-8-methoxy-3',3'-dimethyl-6-nitrospiro[3,4-dihydrochromene-2,2'-indole]
CID 70831321
2-formyloxyethyl 3-(3',3'-dimethyl-6-nitrospiro[3,4-dihydrochromene-2,2'-indole]-1'-yl)propanoate
CID 102394170
8-(iodomethyl)-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 11259752
3-nitro-N-(1',3',3'-trimethylspiro[3H-1-benzofuran-2,2'-indole]-5-yl)benzenesulfonamide
CID 4207675
5a,6,10b-trimethyl-2-nitro-11H-chromeno[2,3-b]indole
CID 139243709
5a,6,6-trimethyl-2-nitro-4-phenyl-12H-indolo[2,1-b][1,3]benzoxazine
CID 102223161
N-(1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl)benzenesulfonamide
CID 25048163
[(2R)-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-8-yl]methyl 2-methylprop-2-enoate
CID 7327401
(2S)-8-bromo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
CID 6999379
(1S,9S)-2,9-dimethyl-17,19-dinitro-21-oxa-2-azapentacyclo[11.8.0.01,9.03,8.015,20]henicosa-3,5,7,13,15(20),16,18-heptaene
CID 7360802
4-ethoxy-N-[(2S)-1',3',3'-trimethylspiro[3H-benzo[g][1]benzofuran-2,2'-indole]-5-yl]benzenesulfonamide
CID 2179913

Frequently Asked Questions

What is the IUPAC name of 1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole]?
The IUPAC name of 1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole] (CID 15476333) is 1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole].
What is the SMILES notation for 1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole]?
The canonical SMILES for 1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole] is C=CCc1cc([N+](=O)[O-])cc2c1OC1(CC2)N(C)c2ccccc2C1(C)C.
What is the InChIKey of 1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole]?
The InChIKey is FCXVPEZDBCHHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-5-8-15-13-17(24(25)26)14-16-11-12-22(27-20(15)16)21(2,3)18-9-6-7-10-19(18)23(22)4/h5-7,9-10,13-14H,1,8,11-12H2,2-4H3.
What are the key properties of 1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole]?
1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole] has a molecular weight of 364.45 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1',3',3'-trimethyl-6-nitro-8-prop-2-enylspiro[3,4-dihydrochromene-2,2'-indole] is sourced from PubChem (CID 15476333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).