(6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol

C10H17NO — CID 164922281

IUPAC(6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol
SMILESC=C1CCC2(CO)CCCN2C1
InChIInChI=1S/C10H17NO/c1-9-3-5-10(8-12)4-2-6-11(10)7-9/h12H,1-8H2
InChIKeyYCDLBVIKQNKWGX-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.16
Rot. Bonds1

About (6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol

(6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol (PubChem CID 164922281) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol.

Molecular Properties

Compound Name(6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol
PubChem CID164922281
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol
SMILESC=C1CCC2(CO)CCCN2C1
InChIInChI=1S/C10H17NO/c1-9-3-5-10(8-12)4-2-6-11(10)7-9/h12H,1-8H2
InChIKeyYCDLBVIKQNKWGX-UHFFFAOYSA-N
XLogP1.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

(Octahydroindolizin-8a-yl)methanol
CID 117272748
(7R,8S,8aS)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 21598230
[(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol
CID 125041398
ethane;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethanol
CID 144849663
(2-Methylidene-octahydroindolizin-8A-YL)methanol
CID 164921910
(7-Methylenehexahydroindolizin-8A(1H)-YL)methanol
CID 164922008
(2-Butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
CID 164922029
6-Methylidene-8a-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydroindolizine
CID 164922044
2-Methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine
CID 164922132
[1-Methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol
CID 164922682
[(8aS)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]methanol;ethane
CID 166102918
methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol
CID 170771620

Frequently Asked Questions

What is the IUPAC name of (6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol?
The IUPAC name of (6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol (CID 164922281) is (6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol.
What is the SMILES notation for (6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol?
The canonical SMILES for (6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol is C=C1CCC2(CO)CCCN2C1.
What is the InChIKey of (6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol?
The InChIKey is YCDLBVIKQNKWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-3-5-10(8-12)4-2-6-11(10)7-9/h12H,1-8H2.
What are the key properties of (6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol?
(6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol has a molecular weight of 167.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylidene-1,2,3,5,7,8-hexahydroindolizin-8a-yl)methanol is sourced from PubChem (CID 164922281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).