1-[(E)-but-1-enyl]pyrrolidin-2-one

C8H13NO — CID 5371409

IUPAC1-[(E)-but-1-enyl]pyrrolidin-2-one
SMILESCC/C=C/N1CCCC1=O
InChIInChI=1S/C8H13NO/c1-2-3-6-9-7-4-5-8(9)10/h3,6H,2,4-5,7H2,1H3/b6-3+
InChIKeyFMAQXEBCTUCOBO-ZZXKWVIFSA-N
MW139.20 g/mol
LogP1.53
Rot. Bonds2

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

1-[(E)-but-1-enyl]pyrrolidin-2-one (PubChem CID 5371409) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]pyrrolidin-2-one
PubChem CID5371409
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-[(E)-but-1-enyl]pyrrolidin-2-one
SMILESCC/C=C/N1CCCC1=O
InChIInChI=1S/C8H13NO/c1-2-3-6-9-7-4-5-8(9)10/h3,6H,2,4-5,7H2,1H3/b6-3+
InChIKeyFMAQXEBCTUCOBO-ZZXKWVIFSA-N
XLogP1.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-but-1-enyl]pyrrolidin-2-one (CID 5371409) is 1-[(E)-but-1-enyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-but-1-enyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-but-1-enyl]pyrrolidin-2-one is CC/C=C/N1CCCC1=O.
What is the InChIKey of 1-[(E)-but-1-enyl]pyrrolidin-2-one?
The InChIKey is FMAQXEBCTUCOBO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-6-9-7-4-5-8(9)10/h3,6H,2,4-5,7H2,1H3/b6-3+.
What are the key properties of 1-[(E)-but-1-enyl]pyrrolidin-2-one?
1-[(E)-but-1-enyl]pyrrolidin-2-one has a molecular weight of 139.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]pyrrolidin-2-one is sourced from PubChem (CID 5371409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).