(3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one

C18H29NO — CID 57267073

IUPAC(3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one
SMILESC[C@@]12CCC[C@H]1[C@@H]1CCN3CC(=O)CC[C@]3(C)[C@@H]1CC2
InChIInChI=1S/C18H29NO/c1-17-8-3-4-15(17)14-7-11-19-12-13(20)5-10-18(19,2)16(14)6-9-17/h14-16H,3-12H2,1-2H3/t14-,15-,16+,17-,18+/m0/s1
InChIKeyCNWQXVBMEYPXFR-IECFSIQFSA-N
MW275.44 g/mol
LogP3.65
Rot. Bonds

About (3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one

(3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one (PubChem CID 57267073) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one.

Molecular Properties

Compound Name(3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one
PubChem CID57267073
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one
SMILESC[C@@]12CCC[C@H]1[C@@H]1CCN3CC(=O)CC[C@]3(C)[C@@H]1CC2
InChIInChI=1S/C18H29NO/c1-17-8-3-4-15(17)14-7-11-19-12-13(20)5-10-18(19,2)16(14)6-9-17/h14-16H,3-12H2,1-2H3/t14-,15-,16+,17-,18+/m0/s1
InChIKeyCNWQXVBMEYPXFR-IECFSIQFSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one?
The IUPAC name of (3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one (CID 57267073) is (3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one.
What is the SMILES notation for (3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one?
The canonical SMILES for (3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one is C[C@@]12CCC[C@H]1[C@@H]1CCN3CC(=O)CC[C@]3(C)[C@@H]1CC2.
What is the InChIKey of (3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one?
The InChIKey is CNWQXVBMEYPXFR-IECFSIQFSA-N. The full InChI is InChI=1S/C18H29NO/c1-17-8-3-4-15(17)14-7-11-19-12-13(20)5-10-18(19,2)16(14)6-9-17/h14-16H,3-12H2,1-2H3/t14-,15-,16+,17-,18+/m0/s1.
What are the key properties of (3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one?
(3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one has a molecular weight of 275.44 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,10aR,10bR,12aS)-10a,12a-dimethyl-2,3,3a,3b,4,5,7,9,10,10b,11,12-dodecahydro-1H-indeno[5,4-a]quinolizin-8-one is sourced from PubChem (CID 57267073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).