5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one

C12H17NO — CID 143617851

IUPAC5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC/C=C\C1=C(/C=C\CC)N(C)C(=O)C1
InChIInChI=1S/C12H17NO/c1-4-6-8-11-10(7-5-2)9-12(14)13(11)3/h5-8H,4,9H2,1-3H3/b7-5-,8-6-
InChIKeyFMRFZICBGVNJHM-SFECMWDFSA-N
MW191.27 g/mol
LogP2.64
Rot. Bonds3

About 5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one

5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (PubChem CID 143617851) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
PubChem CID143617851
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one
SMILESC/C=C\C1=C(/C=C\CC)N(C)C(=O)C1
InChIInChI=1S/C12H17NO/c1-4-6-8-11-10(7-5-2)9-12(14)13(11)3/h5-8H,4,9H2,1-3H3/b7-5-,8-6-
InChIKeyFMRFZICBGVNJHM-SFECMWDFSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The IUPAC name of 5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one (CID 143617851) is 5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The canonical SMILES for 5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one is C/C=C\C1=C(/C=C\CC)N(C)C(=O)C1.
What is the InChIKey of 5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
The InChIKey is FMRFZICBGVNJHM-SFECMWDFSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-6-8-11-10(7-5-2)9-12(14)13(11)3/h5-8H,4,9H2,1-3H3/b7-5-,8-6-.
What are the key properties of 5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one?
5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-1-methyl-4-[(Z)-prop-1-enyl]-3H-pyrrol-2-one is sourced from PubChem (CID 143617851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).