1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one

C7H12N2O — CID 87276105

IUPAC1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one
SMILESN/C=C/CN1CCCC1=O
InChIInChI=1S/C7H12N2O/c8-4-2-6-9-5-1-3-7(9)10/h2,4H,1,3,5-6,8H2/b4-2+
InChIKeyLBKJJDHEASQSPD-DUXPYHPUSA-N
MW140.19 g/mol
LogP0.08
Rot. Bonds2

About 1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one

1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one (PubChem CID 87276105) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one
PubChem CID87276105
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one
SMILESN/C=C/CN1CCCC1=O
InChIInChI=1S/C7H12N2O/c8-4-2-6-9-5-1-3-7(9)10/h2,4H,1,3,5-6,8H2/b4-2+
InChIKeyLBKJJDHEASQSPD-DUXPYHPUSA-N
XLogP0.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminoprop-2-enyl)pyrrolidin-2-one
CID 67120003
1-(3-aminoprop-2-enyl)piperidin-2-one
CID 67823451
azane;1-prop-2-enylpyrrolidin-2-one
CID 174828980
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
carbamodithioic acid;1-prop-2-enylpyrrolidin-2-one
CID 175478973
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1-(fluoromethyl)pyrrolidin-2-one;dihydrochloride
CID 141325975
1-[(2-oxopyrrolidin-1-yl)methoxymethyl]pyrrolidin-2-one
CID 56986505
2-ethyl-4-(2-oxopyrrolidin-1-yl)but-2-enoic acid
CID 77100831
1-ethylpyrrolidin-2-one;sulfuric acid
CID 174895849
1-(2-silylethyl)pyrrolidin-2-one
CID 154480854

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one (CID 87276105) is 1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one is N/C=C/CN1CCCC1=O.
What is the InChIKey of 1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one?
The InChIKey is LBKJJDHEASQSPD-DUXPYHPUSA-N. The full InChI is InChI=1S/C7H12N2O/c8-4-2-6-9-5-1-3-7(9)10/h2,4H,1,3,5-6,8H2/b4-2+.
What are the key properties of 1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one?
1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-aminoprop-2-enyl]pyrrolidin-2-one is sourced from PubChem (CID 87276105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).