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

C9H11NO — CID 12853439

IUPAC7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC=C=C1CCN2C(=O)CCC12
InChIInChI=1S/C9H11NO/c1-2-7-5-6-10-8(7)3-4-9(10)11/h8H,1,3-6H2
InChIKeyNOFYXGMQSBVAPL-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.09
Rot. Bonds

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

7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 12853439) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID12853439
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
SMILESC=C=C1CCN2C(=O)CCC12
InChIInChI=1S/C9H11NO/c1-2-7-5-6-10-8(7)3-4-9(10)11/h8H,1,3-6H2
InChIKeyNOFYXGMQSBVAPL-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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Related Compounds

6-methylidene-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 14744488
(8S)-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175973493
6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175973502
(8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175973503
6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175973767
(7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175974562
7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 175976038
6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 176115599
(6E)-7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 176270751
7-Ethenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 12853445
(7E)-7-(trimethylsilylmethylidene)-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 12842580
7-methylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 12842581

Frequently Asked Questions

What is the IUPAC name of 7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one (CID 12853439) is 7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is C=C=C1CCN2C(=O)CCC12.
What is the InChIKey of 7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is NOFYXGMQSBVAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-7-5-6-10-8(7)3-4-9(10)11/h8H,1,3-6H2.
What are the key properties of 7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one?
7-ethenylidene-2,5,6,8-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 7-ethenylidene-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 12853439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).