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

C10H17NO — CID 164921910

IUPAC(2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol
SMILESC=C1CN2CCCCC2(CO)C1
InChIInChI=1S/C10H17NO/c1-9-6-10(8-12)4-2-3-5-11(10)7-9/h12H,1-8H2
InChIKeyLOHCEFSCASSAPU-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.16
Rot. Bonds1

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

(2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol (PubChem CID 164921910) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol.

Molecular Properties

Compound Name(2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol
PubChem CID164921910
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol
SMILESC=C1CN2CCCCC2(CO)C1
InChIInChI=1S/C10H17NO/c1-9-6-10(8-12)4-2-3-5-11(10)7-9/h12H,1-8H2
InChIKeyLOHCEFSCASSAPU-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'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol?
The IUPAC name of (2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol (CID 164921910) is (2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol.
What is the SMILES notation for (2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol?
The canonical SMILES for (2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol is C=C1CN2CCCCC2(CO)C1.
What is the InChIKey of (2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol?
The InChIKey is LOHCEFSCASSAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-9-6-10(8-12)4-2-3-5-11(10)7-9/h12H,1-8H2.
What are the key properties of (2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol?
(2-methylidene-1,3,5,6,7,8-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 (2-methylidene-1,3,5,6,7,8-hexahydroindolizin-8a-yl)methanol is sourced from PubChem (CID 164921910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).