(5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one

C15H23NO — CID 101333055

IUPAC(5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one
SMILESCC(=O)CC/C=C1/C=C(C)[C@@H]2CCCCN2C1
InChIInChI=1S/C15H23NO/c1-12-10-14(7-5-6-13(2)17)11-16-9-4-3-8-15(12)16/h7,10,15H,3-6,8-9,11H2,1-2H3/b14-7-/t15-/m0/s1
InChIKeyBKUJGTSEWKOZSI-GSHXUFRSSA-N
MW233.35 g/mol
LogP3.10
Rot. Bonds3

About (5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one

(5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one (PubChem CID 101333055) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one
PubChem CID101333055
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one
SMILESCC(=O)CC/C=C1/C=C(C)[C@@H]2CCCCN2C1
InChIInChI=1S/C15H23NO/c1-12-10-14(7-5-6-13(2)17)11-16-9-4-3-8-15(12)16/h7,10,15H,3-6,8-9,11H2,1-2H3/b14-7-/t15-/m0/s1
InChIKeyBKUJGTSEWKOZSI-GSHXUFRSSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one with MolForge

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Related Compounds

(E)-1-(1,1-dimethylpiperidin-1-ium-2-yl)-2-methylpent-1-en-3-one
CID 44350038
(E)-2-methyl-1-(1-methylpiperidin-2-yl)pent-1-en-3-one
CID 44350050
1-(4-methyl-7,8,9,9a-tetrahydro-6H-quinolizin-3-yl)ethanone
CID 135038619
(4Z)-5-fluoro-3-piperidin-1-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-2-one
CID 144046922
(5Z)-5-(1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene)pentan-2-one
CID 102000982
(8aS)-2-methyl-5,6,8,8a-tetrahydro-3H-indolizin-7-one
CID 45088312
(8aR)-2-methyl-5,6,8,8a-tetrahydro-3H-indolizin-7-one
CID 58718233
10-Ethyl-4a,8a,9a,10a-tetrahydroacridin-9-one
CID 66598494
(2R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one
CID 68199897
1-[(1R)-2,3,4,5-tetrahydro-1H-inden-1-yl]piperidin-4-one
CID 68351595
1-[(1S)-2,3,4,5-tetrahydro-1H-inden-1-yl]piperidin-4-one
CID 68351600
(2S,6R)-1-(cyclohexen-1-ylmethyl)-2,6-dimethylpiperidin-4-one
CID 118281617

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one?
The IUPAC name of (5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one (CID 101333055) is (5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one.
What is the SMILES notation for (5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one?
The canonical SMILES for (5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one is CC(=O)CC/C=C1/C=C(C)[C@@H]2CCCCN2C1.
What is the InChIKey of (5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one?
The InChIKey is BKUJGTSEWKOZSI-GSHXUFRSSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-10-14(7-5-6-13(2)17)11-16-9-4-3-8-15(12)16/h7,10,15H,3-6,8-9,11H2,1-2H3/b14-7-/t15-/m0/s1.
What are the key properties of (5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one?
(5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(9aS)-1-methyl-4,6,7,8,9,9a-hexahydroquinolizin-3-ylidene]pentan-2-one is sourced from PubChem (CID 101333055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).