(1Z)-1-pyrrolidin-2-ylidenepropan-2-one

C7H11NO — CID 11815355

IUPAC(1Z)-1-pyrrolidin-2-ylidenepropan-2-one
SMILESCC(=O)/C=C1/CCCN1
InChIInChI=1S/C7H11NO/c1-6(9)5-7-3-2-4-8-7/h5,8H,2-4H2,1H3/b7-5-
InChIKeyMJPFXBSXYTVTNT-ALCCZGGFSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds1

About (1Z)-1-pyrrolidin-2-ylidenepropan-2-one

(1Z)-1-pyrrolidin-2-ylidenepropan-2-one (PubChem CID 11815355) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (1Z)-1-pyrrolidin-2-ylidenepropan-2-one.

Molecular Properties

Compound Name(1Z)-1-pyrrolidin-2-ylidenepropan-2-one
PubChem CID11815355
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(1Z)-1-pyrrolidin-2-ylidenepropan-2-one
SMILESCC(=O)/C=C1/CCCN1
InChIInChI=1S/C7H11NO/c1-6(9)5-7-3-2-4-8-7/h5,8H,2-4H2,1H3/b7-5-
InChIKeyMJPFXBSXYTVTNT-ALCCZGGFSA-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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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-pyrrolidin-2-ylidenepropan-2-one?
The IUPAC name of (1Z)-1-pyrrolidin-2-ylidenepropan-2-one (CID 11815355) is (1Z)-1-pyrrolidin-2-ylidenepropan-2-one.
What is the SMILES notation for (1Z)-1-pyrrolidin-2-ylidenepropan-2-one?
The canonical SMILES for (1Z)-1-pyrrolidin-2-ylidenepropan-2-one is CC(=O)/C=C1/CCCN1.
What is the InChIKey of (1Z)-1-pyrrolidin-2-ylidenepropan-2-one?
The InChIKey is MJPFXBSXYTVTNT-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H11NO/c1-6(9)5-7-3-2-4-8-7/h5,8H,2-4H2,1H3/b7-5-.
What are the key properties of (1Z)-1-pyrrolidin-2-ylidenepropan-2-one?
(1Z)-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 (1Z)-1-pyrrolidin-2-ylidenepropan-2-one is sourced from PubChem (CID 11815355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).