7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C9H13NO — CID 12853445

IUPAC7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC=CC1CCN2C(=O)CCC12
InChIInChI=1S/C9H13NO/c1-2-7-5-6-10-8(7)3-4-9(10)11/h2,7-8H,1,3-6H2
InChIKeySMTYYXBNYDAINS-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.18
Rot. Bonds1

About 7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one

7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 12853445) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID12853445
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESC=CC1CCN2C(=O)CCC12
InChIInChI=1S/C9H13NO/c1-2-7-5-6-10-8(7)3-4-9(10)11/h2,7-8H,1,3-6H2
InChIKeySMTYYXBNYDAINS-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.18
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 7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of 7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 12853445) is 7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for 7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for 7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is C=CC1CCN2C(=O)CCC12.
What is the InChIKey of 7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is SMTYYXBNYDAINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-7-5-6-10-8(7)3-4-9(10)11/h2,7-8H,1,3-6H2.
What are the key properties of 7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 151.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 12853445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).