4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane

C14H21NO — CID 144628717

IUPAC4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane
SMILESC/C=C(/C)c1ccn(C2CC2)c(=O)c1.CC
InChIInChI=1S/C12H15NO.C2H6/c1-3-9(2)10-6-7-13(11-4-5-11)12(14)8-10;1-2/h3,6-8,11H,4-5H2,1-2H3;1-2H3/b9-3-;
InChIKeyNCNUXMPOZPWNQY-WPUSIDMCSA-N
MW219.33 g/mol
LogP3.63
Rot. Bonds2

About 4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane

4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane (PubChem CID 144628717) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane
PubChem CID144628717
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane
SMILESC/C=C(/C)c1ccn(C2CC2)c(=O)c1.CC
InChIInChI=1S/C12H15NO.C2H6/c1-3-9(2)10-6-7-13(11-4-5-11)12(14)8-10;1-2/h3,6-8,11H,4-5H2,1-2H3;1-2H3/b9-3-;
InChIKeyNCNUXMPOZPWNQY-WPUSIDMCSA-N
XLogP3.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane (CID 144628717) is 4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane is C/C=C(/C)c1ccn(C2CC2)c(=O)c1.CC.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane?
The InChIKey is NCNUXMPOZPWNQY-WPUSIDMCSA-N. The full InChI is InChI=1S/C12H15NO.C2H6/c1-3-9(2)10-6-7-13(11-4-5-11)12(14)8-10;1-2/h3,6-8,11H,4-5H2,1-2H3;1-2H3/b9-3-;.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane?
4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane has a molecular weight of 219.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-1-cyclopropylpyridin-2-one;ethane is sourced from PubChem (CID 144628717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).