(1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol

C14H25NO — CID 10632875

IUPAC(1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol
SMILESCC(C)/C=C1\CN2CCCC[C@H]2[C@@](C)(O)C1
InChIInChI=1S/C14H25NO/c1-11(2)8-12-9-14(3,16)13-6-4-5-7-15(13)10-12/h8,11,13,16H,4-7,9-10H2,1-3H3/b12-8-/t13-,14-/m0/s1
InChIKeyIDHCJVREQNIIJH-KGKULNKVSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds1

About (1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol

(1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol (PubChem CID 10632875) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol.

Molecular Properties

Compound Name(1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol
PubChem CID10632875
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol
SMILESCC(C)/C=C1\CN2CCCC[C@H]2[C@@](C)(O)C1
InChIInChI=1S/C14H25NO/c1-11(2)8-12-9-14(3,16)13-6-4-5-7-15(13)10-12/h8,11,13,16H,4-7,9-10H2,1-3H3/b12-8-/t13-,14-/m0/s1
InChIKeyIDHCJVREQNIIJH-KGKULNKVSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
The IUPAC name of (1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol (CID 10632875) is (1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol.
What is the SMILES notation for (1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
The canonical SMILES for (1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol is CC(C)/C=C1\CN2CCCC[C@H]2[C@@](C)(O)C1.
What is the InChIKey of (1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
The InChIKey is IDHCJVREQNIIJH-KGKULNKVSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)8-12-9-14(3,16)13-6-4-5-7-15(13)10-12/h8,11,13,16H,4-7,9-10H2,1-3H3/b12-8-/t13-,14-/m0/s1.
What are the key properties of (1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol?
(1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3Z,9aS)-1-methyl-3-(2-methylpropylidene)-4,6,7,8,9,9a-hexahydro-2H-quinolizin-1-ol is sourced from PubChem (CID 10632875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).