6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

C9H11NO — CID 11955043

IUPAC6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC=C=C1CC2CCC(=O)N2C1
InChIInChI=1S/C9H11NO/c1-2-7-5-8-3-4-9(11)10(8)6-7/h8H,1,3-6H2
InChIKeyBZISXDADJQOZKE-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.09
Rot. Bonds

About 6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 11955043) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID11955043
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC=C=C1CC2CCC(=O)N2C1
InChIInChI=1S/C9H11NO/c1-2-7-5-8-3-4-9(11)10(8)6-7/h8H,1,3-6H2
InChIKeyBZISXDADJQOZKE-UHFFFAOYSA-N
XLogP1.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 11955043) is 6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is C=C=C1CC2CCC(=O)N2C1.
What is the InChIKey of 6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is BZISXDADJQOZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-7-5-8-3-4-9(11)10(8)6-7/h8H,1,3-6H2.
What are the key properties of 6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 149.19 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 11955043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).