1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one

C9H13NO — CID 75094178

IUPAC1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCCC1C=C
InChIInChI=1S/C9H13NO/c1-3-8-6-5-7-10(8)9(11)4-2/h3-4,8H,1-2,5-7H2
InChIKeyAIJRKULLEKRSQK-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds2

About 1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one

1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one (PubChem CID 75094178) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one
PubChem CID75094178
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCCC1C=C
InChIInChI=1S/C9H13NO/c1-3-8-6-5-7-10(8)9(11)4-2/h3-4,8H,1-2,5-7H2
InChIKeyAIJRKULLEKRSQK-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(8R)-5,6,7,8-tetrahydropyrrolizin-3-one
CID 5325756
5,6,7,8-Tetrahydropyrrolizin-3-one
CID 16747700
1-[(2R)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 131153915
1-[2-(Prop-2-en-1-yl)pyrrolidin-1-yl]ethan-1-one
CID 71426690
2-fluoro-1-[(2S)-2-prop-2-enylpyrrolidin-1-yl]prop-2-en-1-one
CID 122202877
1-[(2S)-4,4-difluoro-2-prop-1-en-2-ylpyrrolidin-1-yl]prop-2-en-1-one
CID 130426745
1-[(2S)-2-ethenylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 141944069
1-[2-(Fluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 162380883
1-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 162382441
1-[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 173834778
(8aS)-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 10866395
(8S)-5,6,7,8-Tetrahydropyrrolizin-3-one
CID 11029828

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one (CID 75094178) is 1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one is C=CC(=O)N1CCCC1C=C.
What is the InChIKey of 1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one?
The InChIKey is AIJRKULLEKRSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-8-6-5-7-10(8)9(11)4-2/h3-4,8H,1-2,5-7H2.
What are the key properties of 1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one?
1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylpyrrolidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 75094178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).