(5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one

C11H17NO — CID 11367347

IUPAC(5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one
SMILESCC(C)[C@H]1CC(=O)C[C@@H]2C=CCN12
InChIInChI=1S/C11H17NO/c1-8(2)11-7-10(13)6-9-4-3-5-12(9)11/h3-4,8-9,11H,5-7H2,1-2H3/t9-,11+/m0/s1
InChIKeyGWTUPRCTFRLMSM-GXSJLCMTSA-N
MW179.26 g/mol
LogP1.61
Rot. Bonds1

About (5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one

(5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one (PubChem CID 11367347) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one.

Molecular Properties

Compound Name(5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one
PubChem CID11367347
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one
SMILESCC(C)[C@H]1CC(=O)C[C@@H]2C=CCN12
InChIInChI=1S/C11H17NO/c1-8(2)11-7-10(13)6-9-4-3-5-12(9)11/h3-4,8-9,11H,5-7H2,1-2H3/t9-,11+/m0/s1
InChIKeyGWTUPRCTFRLMSM-GXSJLCMTSA-N
XLogP1.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one?
The IUPAC name of (5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one (CID 11367347) is (5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one.
What is the SMILES notation for (5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one?
The canonical SMILES for (5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one is CC(C)[C@H]1CC(=O)C[C@@H]2C=CCN12.
What is the InChIKey of (5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one?
The InChIKey is GWTUPRCTFRLMSM-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)11-7-10(13)6-9-4-3-5-12(9)11/h3-4,8-9,11H,5-7H2,1-2H3/t9-,11+/m0/s1.
What are the key properties of (5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one?
(5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one has a molecular weight of 179.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8aR)-5-propan-2-yl-5,6,8,8a-tetrahydro-3H-indolizin-7-one is sourced from PubChem (CID 11367347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).