1-ethenyl-2-propylpyrrolidin-3-one

C9H15NO — CID 54490098

IUPAC1-ethenyl-2-propylpyrrolidin-3-one
SMILESC=CN1CCC(=O)C1CCC
InChIInChI=1S/C9H15NO/c1-3-5-8-9(11)6-7-10(8)4-2/h4,8H,2-3,5-7H2,1H3
InChIKeyXVCDHECUNPRZRF-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.57
Rot. Bonds3

About 1-ethenyl-2-propylpyrrolidin-3-one

1-ethenyl-2-propylpyrrolidin-3-one (PubChem CID 54490098) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-ethenyl-2-propylpyrrolidin-3-one.

Molecular Properties

Compound Name1-ethenyl-2-propylpyrrolidin-3-one
PubChem CID54490098
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-ethenyl-2-propylpyrrolidin-3-one
SMILESC=CN1CCC(=O)C1CCC
InChIInChI=1S/C9H15NO/c1-3-5-8-9(11)6-7-10(8)4-2/h4,8H,2-3,5-7H2,1H3
InChIKeyXVCDHECUNPRZRF-UHFFFAOYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-2-(2-hydroxyethyl)pyrrolidin-3-one
CID 123620665
1-ethenyl-2-(1-hydroxyethyl)pyrrolidin-3-one
CID 174727761
1-ethenyl-4-propylazepan-2-one
CID 18512687
(3R,6R)-1,4-dihydroxy-3,6-dipropylpiperazine-2,5-dione
CID 12789509
(2R)-2-(hydroxymethyl)-1-methylpyrrolidin-3-one
CID 142983641
1-ethenyl-5-nonylazepan-2-one
CID 134495583
1-cyclopropyl-2-methylidene-3-pentylpiperidin-4-one
CID 174826282
1-ethenyl-3-ethylpyrrolidin-2-one
CID 14205343
6-propylbicyclo[3.1.0]hexan-2-one
CID 69061464
(2R)-2-propylthiolan-3-one
CID 70123125
3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione
CID 64886736
tert-butyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 57376569

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-propylpyrrolidin-3-one?
The IUPAC name of 1-ethenyl-2-propylpyrrolidin-3-one (CID 54490098) is 1-ethenyl-2-propylpyrrolidin-3-one.
What is the SMILES notation for 1-ethenyl-2-propylpyrrolidin-3-one?
The canonical SMILES for 1-ethenyl-2-propylpyrrolidin-3-one is C=CN1CCC(=O)C1CCC.
What is the InChIKey of 1-ethenyl-2-propylpyrrolidin-3-one?
The InChIKey is XVCDHECUNPRZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-5-8-9(11)6-7-10(8)4-2/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 1-ethenyl-2-propylpyrrolidin-3-one?
1-ethenyl-2-propylpyrrolidin-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-propylpyrrolidin-3-one is sourced from PubChem (CID 54490098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).