(5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine

C10H17N — CID 11423693

IUPAC(5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine
SMILESC=C1C[C@@H]2CCCN2[C@@H](C)C1
InChIInChI=1S/C10H17N/c1-8-6-9(2)11-5-3-4-10(11)7-8/h9-10H,1,3-7H2,2H3/t9-,10-/m0/s1
InChIKeyGCLSRBRHKCXLTO-UWVGGRQHSA-N
MW151.25 g/mol
LogP2.19
Rot. Bonds

About (5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine

(5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine (PubChem CID 11423693) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine.

Molecular Properties

Compound Name(5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine
PubChem CID11423693
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine
SMILESC=C1C[C@@H]2CCCN2[C@@H](C)C1
InChIInChI=1S/C10H17N/c1-8-6-9(2)11-5-3-4-10(11)7-8/h9-10H,1,3-7H2,2H3/t9-,10-/m0/s1
InChIKeyGCLSRBRHKCXLTO-UWVGGRQHSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine?
The IUPAC name of (5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine (CID 11423693) is (5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine.
What is the SMILES notation for (5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine?
The canonical SMILES for (5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine is C=C1C[C@@H]2CCCN2[C@@H](C)C1.
What is the InChIKey of (5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine?
The InChIKey is GCLSRBRHKCXLTO-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H17N/c1-8-6-9(2)11-5-3-4-10(11)7-8/h9-10H,1,3-7H2,2H3/t9-,10-/m0/s1.
What are the key properties of (5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine?
(5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine has a molecular weight of 151.25 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8aS)-5-methyl-7-methylidene-2,3,5,6,8,8a-hexahydro-1H-indolizine is sourced from PubChem (CID 11423693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).