(8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one

C9H13NO — CID 135045190

IUPAC(8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESC=C1C[C@H]2CCCCN2C1=O
InChIInChI=1S/C9H13NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h8H,1-6H2/t8-/m1/s1
InChIKeySVGYUAYXVOOSBH-MRVPVSSYSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds

About (8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one

(8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one (PubChem CID 135045190) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one
PubChem CID135045190
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESC=C1C[C@H]2CCCCN2C1=O
InChIInChI=1S/C9H13NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h8H,1-6H2/t8-/m1/s1
InChIKeySVGYUAYXVOOSBH-MRVPVSSYSA-N
XLogP1.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11693960
7-methylenehexahydro-3(2H)-indolizinone
CID 13409895
2-Methylidene-1,3,6,7,8,8a-hexahydroindolizin-5-one
CID 14744514
8-Methylidene-1,2,5,6,7,8a-hexahydroindolizin-3-one
CID 129918967
2-Propan-2-ylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one
CID 132538717
(8R,8aR)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 134957210
6-Methylidene-1,2,3,7,8,8a-hexahydroindolizin-5-one
CID 300239
(6E)-6-heptylidene-8-methylidene-1,2,5,8a-tetrahydroindolizin-3-one
CID 10848111
(1E)-1-(2-methylpropylidene)-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 10856344
(8aS)-8-methylidene-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 10942629
(1E)-1-ethylidene-6,7,8,8a-tetrahydro-5H-indolizin-3-one
CID 10964868
(5R,8aR)-5-methyl-7-methylidene-1,2,5,6,8,8a-hexahydroindolizin-3-one
CID 11423782

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The IUPAC name of (8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one (CID 135045190) is (8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one.
What is the SMILES notation for (8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The canonical SMILES for (8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one is C=C1C[C@H]2CCCCN2C1=O.
What is the InChIKey of (8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The InChIKey is SVGYUAYXVOOSBH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-6-8-4-2-3-5-10(8)9(7)11/h8H,1-6H2/t8-/m1/s1.
What are the key properties of (8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one?
(8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one has a molecular weight of 151.21 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-methylidene-1,5,6,7,8,8a-hexahydroindolizin-3-one is sourced from PubChem (CID 135045190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).