1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile

C11H11ClN2O — CID 106439931

IUPAC1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESC/C(=C/Cl)Cn1c(C)ccc(C#N)c1=O
InChIInChI=1S/C11H11ClN2O/c1-8(5-12)7-14-9(2)3-4-10(6-13)11(14)15/h3-5H,7H2,1-2H3/b8-5-
InChIKeyQWJLFBYBYDJLEQ-YVMONPNESA-N
MW222.68 g/mol
LogP2.17
Rot. Bonds2

About 1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile

1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 106439931) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID106439931
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile
SMILESC/C(=C/Cl)Cn1c(C)ccc(C#N)c1=O
InChIInChI=1S/C11H11ClN2O/c1-8(5-12)7-14-9(2)3-4-10(6-13)11(14)15/h3-5H,7H2,1-2H3/b8-5-
InChIKeyQWJLFBYBYDJLEQ-YVMONPNESA-N
XLogP2.17
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile (CID 106439931) is 1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile is C/C(=C/Cl)Cn1c(C)ccc(C#N)c1=O.
What is the InChIKey of 1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is QWJLFBYBYDJLEQ-YVMONPNESA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-8(5-12)7-14-9(2)3-4-10(6-13)11(14)15/h3-5H,7H2,1-2H3/b8-5-.
What are the key properties of 1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile?
1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 222.68 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-chloro-2-methylprop-2-enyl]-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 106439931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).