1-pyrrolidin-2-ylidenepropan-2-one

C7H11NO — CID 69245783

IUPAC1-pyrrolidin-2-ylidenepropan-2-one
SMILESCC(=O)C=C1CCCN1
InChIInChI=1S/C7H11NO/c1-6(9)5-7-3-2-4-8-7/h5,8H,2-4H2,1H3
InChIKeyMJPFXBSXYTVTNT-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds1

About 1-pyrrolidin-2-ylidenepropan-2-one

1-pyrrolidin-2-ylidenepropan-2-one (PubChem CID 69245783) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylidenepropan-2-one.

Molecular Properties

Compound Name1-pyrrolidin-2-ylidenepropan-2-one
PubChem CID69245783
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-pyrrolidin-2-ylidenepropan-2-one
SMILESCC(=O)C=C1CCCN1
InChIInChI=1S/C7H11NO/c1-6(9)5-7-3-2-4-8-7/h5,8H,2-4H2,1H3
InChIKeyMJPFXBSXYTVTNT-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tetrahydro-1H-pyrrol-1-ylpent-3-en-2-one
CID 5704522
(3Z)-4-[(propan-2-yl)amino]pent-3-en-2-one
CID 11275054
4-Ethylaminopent-3-EN-2-one
CID 11804773
(Z)-4-Propylamino-pent-3-en-2-one
CID 12609387
3-Penten-2-one,4-(1-pyrrolidinyl)-
CID 264801
(3E)-4-(1-pyrrolidinyl)-3-penten-2-one
CID 5380557
(3Z)-4-(Butylamino)-3-penten-2-one
CID 10866573
4-Oxo-6-methyl-1,2,3,4-tetrahydropyridine
CID 12291208
(Z)-4-(propan-2-ylamino)hex-3-en-2-one
CID 101623645
(1E)-1-(1-Methylpyrrolidin-2-ylidene)propan-2-one
CID 12758234
4-Hepten-3-one, 5-(methylamino)-, (4Z)-
CID 55298779
2-Propanoylpyrroline
CID 55299831

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-ylidenepropan-2-one?
The IUPAC name of 1-pyrrolidin-2-ylidenepropan-2-one (CID 69245783) is 1-pyrrolidin-2-ylidenepropan-2-one.
What is the SMILES notation for 1-pyrrolidin-2-ylidenepropan-2-one?
The canonical SMILES for 1-pyrrolidin-2-ylidenepropan-2-one is CC(=O)C=C1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-ylidenepropan-2-one?
The InChIKey is MJPFXBSXYTVTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(9)5-7-3-2-4-8-7/h5,8H,2-4H2,1H3.
What are the key properties of 1-pyrrolidin-2-ylidenepropan-2-one?
1-pyrrolidin-2-ylidenepropan-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-ylidenepropan-2-one is sourced from PubChem (CID 69245783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).