1-pyrrolidin-3-ylpent-4-en-2-one

C9H15NO — CID 116583305

IUPAC1-pyrrolidin-3-ylpent-4-en-2-one
SMILESC=CCC(=O)CC1CCNC1
InChIInChI=1S/C9H15NO/c1-2-3-9(11)6-8-4-5-10-7-8/h2,8,10H,1,3-7H2
InChIKeyVZIKENNUDJETIS-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.13
Rot. Bonds4

About 1-pyrrolidin-3-ylpent-4-en-2-one

1-pyrrolidin-3-ylpent-4-en-2-one (PubChem CID 116583305) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylpent-4-en-2-one.

Molecular Properties

Compound Name1-pyrrolidin-3-ylpent-4-en-2-one
PubChem CID116583305
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-pyrrolidin-3-ylpent-4-en-2-one
SMILESC=CCC(=O)CC1CCNC1
InChIInChI=1S/C9H15NO/c1-2-3-9(11)6-8-4-5-10-7-8/h2,8,10H,1,3-7H2
InChIKeyVZIKENNUDJETIS-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-pyrrolidin-3-yl]pent-4-en-2-one
CID 146425669
1-pyrrolidin-3-ylhex-5-en-3-one
CID 116605872
1-pyrrolidin-3-ylnon-8-en-2-one
CID 107010907
1-(oxan-4-yl)pent-4-en-2-one
CID 116659446
3-(pyrrolidin-3-ylmethyl)but-3-enal
CID 117268348
1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583468
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 79262135
1-piperidin-4-ylbut-3-en-2-one
CID 116559893
N-methyl-N-pyrrolidin-3-ylbut-3-enamide
CID 63298197
1-piperidin-4-yloxyhex-5-en-3-one
CID 116572160
1-(oxan-4-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606037

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylpent-4-en-2-one?
The IUPAC name of 1-pyrrolidin-3-ylpent-4-en-2-one (CID 116583305) is 1-pyrrolidin-3-ylpent-4-en-2-one.
What is the SMILES notation for 1-pyrrolidin-3-ylpent-4-en-2-one?
The canonical SMILES for 1-pyrrolidin-3-ylpent-4-en-2-one is C=CCC(=O)CC1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-ylpent-4-en-2-one?
The InChIKey is VZIKENNUDJETIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-9(11)6-8-4-5-10-7-8/h2,8,10H,1,3-7H2.
What are the key properties of 1-pyrrolidin-3-ylpent-4-en-2-one?
1-pyrrolidin-3-ylpent-4-en-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylpent-4-en-2-one is sourced from PubChem (CID 116583305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).