6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C24H29NO5 — CID 71370104

IUPAC6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCOc1ccc(C2CC3CCC(=O)N3CC2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H29NO5/c1-27-20-8-5-15(11-22(20)29-3)18-13-17-7-10-24(26)25(17)14-19(18)16-6-9-21(28-2)23(12-16)30-4/h5-6,8-9,11-12,17-19H,7,10,13-14H2,1-4H3
InChIKeyWFGBGYORKWSQRG-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.98
Rot. Bonds6

About 6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 71370104) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is 6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID71370104
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Name6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCOc1ccc(C2CC3CCC(=O)N3CC2c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C24H29NO5/c1-27-20-8-5-15(11-22(20)29-3)18-13-17-7-10-24(26)25(17)14-19(18)16-6-9-21(28-2)23(12-16)30-4/h5-6,8-9,11-12,17-19H,7,10,13-14H2,1-4H3
InChIKeyWFGBGYORKWSQRG-UHFFFAOYSA-N
XLogP3.98
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Related Compounds

4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
CID 22347501
(1S,4S,5S)-5-(3,4-dimethoxyphenyl)bicyclo[2.2.1]hept-2-en-7-one
CID 11791406
(4S,9aS)-4-(3,4-dimethoxyphenyl)-3,4,7,8,9,9a-hexahydro-1H-quinolizine-2,6-dione
CID 15839373
5-[(3,4-dimethoxyphenyl)methylamino]-1-methylpiperidin-2-one
CID 64656501
5-amino-6-(3-methoxy-4-propan-2-yloxyphenyl)-1-methylpiperidin-2-one
CID 82193322
4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
3-(3,4-dimethoxyphenyl)-2-nitrocyclohexan-1-one
CID 87882786
(1R)-1-[(1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanol
CID 28912472
(3S,4R)-4-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124858013

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of 6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 71370104) is 6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for 6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for 6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is COc1ccc(C2CC3CCC(=O)N3CC2c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is WFGBGYORKWSQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-27-20-8-5-15(11-22(20)29-3)18-13-17-7-10-24(26)25(17)14-19(18)16-6-9-21(28-2)23(12-16)30-4/h5-6,8-9,11-12,17-19H,7,10,13-14H2,1-4H3.
What are the key properties of 6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 411.50 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(3,4-dimethoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 71370104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).