1-pyrrolidin-2-ylpent-1-en-3-one

C9H15NO — CID 91022944

IUPAC1-pyrrolidin-2-ylpent-1-en-3-one
SMILESCCC(=O)C=CC1CCCN1
InChIInChI=1S/C9H15NO/c1-2-9(11)6-5-8-4-3-7-10-8/h5-6,8,10H,2-4,7H2,1H3
InChIKeyPMADDHSRQJUGQL-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.27
Rot. Bonds3

About 1-pyrrolidin-2-ylpent-1-en-3-one

1-pyrrolidin-2-ylpent-1-en-3-one (PubChem CID 91022944) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylpent-1-en-3-one.

Molecular Properties

Compound Name1-pyrrolidin-2-ylpent-1-en-3-one
PubChem CID91022944
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-pyrrolidin-2-ylpent-1-en-3-one
SMILESCCC(=O)C=CC1CCCN1
InChIInChI=1S/C9H15NO/c1-2-9(11)6-5-8-4-3-7-10-8/h5-6,8,10H,2-4,7H2,1H3
InChIKeyPMADDHSRQJUGQL-UHFFFAOYSA-N
XLogP1.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.27
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

(E)-1-(4-fluoropyrrolidin-2-yl)but-2-en-1-one
CID 177054869
(E)-5-(4,4-difluoropyrrolidin-2-yl)pent-3-en-2-one
CID 177231005
(E)-5-[(2S)-4,4-difluoropyrrolidin-2-yl]pent-3-en-2-one
CID 177231188
(E)-4-(4-fluoropyrrolidin-2-yl)but-3-en-2-one
CID 177231272
(E)-5-(4-amino-4-fluoropyrrolidin-2-yl)pent-3-en-2-one
CID 177231343
(E)-5-[(2R)-4,4-difluoropyrrolidin-2-yl]pent-3-en-2-one
CID 177231675
(E)-4-[(2R,4S)-4-fluoropyrrolidin-2-yl]but-3-en-2-one
CID 177231878
7,9-Dimethyl-1-azaspiro[4.5]deca-6,9-dien-8-one
CID 139125618
(1Z)-1-[(5S)-5-methylpyrrolidin-2-ylidene]but-3-en-2-one
CID 5324936
(1E)-1-(5-methylpyrrolidin-2-ylidene)propan-2-one
CID 10510930
(E)-4-pyrrolidin-2-ylbut-3-en-2-one
CID 10866406
2-Ethyl-4-allylamino-2-cyclopentenone
CID 13137238

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-ylpent-1-en-3-one?
The IUPAC name of 1-pyrrolidin-2-ylpent-1-en-3-one (CID 91022944) is 1-pyrrolidin-2-ylpent-1-en-3-one.
What is the SMILES notation for 1-pyrrolidin-2-ylpent-1-en-3-one?
The canonical SMILES for 1-pyrrolidin-2-ylpent-1-en-3-one is CCC(=O)C=CC1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-ylpent-1-en-3-one?
The InChIKey is PMADDHSRQJUGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-9(11)6-5-8-4-3-7-10-8/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of 1-pyrrolidin-2-ylpent-1-en-3-one?
1-pyrrolidin-2-ylpent-1-en-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-ylpent-1-en-3-one is sourced from PubChem (CID 91022944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).