(8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one

C14H19NO — CID 135068323

IUPAC(8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C=C(C2=CCCCC2)C[C@@H]2CCCN12
InChIInChI=1S/C14H19NO/c16-14-10-12(11-5-2-1-3-6-11)9-13-7-4-8-15(13)14/h5,10,13H,1-4,6-9H2/t13-/m0/s1
InChIKeyHDUQCRGWXSOQPJ-ZDUSSCGKSA-N
MW217.31 g/mol
LogP2.81
Rot. Bonds1

About (8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one

(8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one (PubChem CID 135068323) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
PubChem CID135068323
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
SMILESO=C1C=C(C2=CCCCC2)C[C@@H]2CCCN12
InChIInChI=1S/C14H19NO/c16-14-10-12(11-5-2-1-3-6-11)9-13-7-4-8-15(13)14/h5,10,13H,1-4,6-9H2/t13-/m0/s1
InChIKeyHDUQCRGWXSOQPJ-ZDUSSCGKSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The IUPAC name of (8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one (CID 135068323) is (8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one.
What is the SMILES notation for (8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The canonical SMILES for (8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one is O=C1C=C(C2=CCCCC2)C[C@@H]2CCCN12.
What is the InChIKey of (8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
The InChIKey is HDUQCRGWXSOQPJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO/c16-14-10-12(11-5-2-1-3-6-11)9-13-7-4-8-15(13)14/h5,10,13H,1-4,6-9H2/t13-/m0/s1.
What are the key properties of (8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one?
(8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one has a molecular weight of 217.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-(cyclohexen-1-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one is sourced from PubChem (CID 135068323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).