3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide

C9H10ClNO — CID 170055880

IUPAC3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide
SMILESC=C1CC=C(Cl)C=C1C(=O)NC
InChIInChI=1S/C9H10ClNO/c1-6-3-4-7(10)5-8(6)9(12)11-2/h4-5H,1,3H2,2H3,(H,11,12)
InChIKeyKWUZCKOTMGLIFS-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.74
Rot. Bonds1

About 3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide

3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide (PubChem CID 170055880) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide
PubChem CID170055880
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide
SMILESC=C1CC=C(Cl)C=C1C(=O)NC
InChIInChI=1S/C9H10ClNO/c1-6-3-4-7(10)5-8(6)9(12)11-2/h4-5H,1,3H2,2H3,(H,11,12)
InChIKeyKWUZCKOTMGLIFS-UHFFFAOYSA-N
XLogP1.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide (CID 170055880) is 3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide is C=C1CC=C(Cl)C=C1C(=O)NC.
What is the InChIKey of 3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide?
The InChIKey is KWUZCKOTMGLIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6-3-4-7(10)5-8(6)9(12)11-2/h4-5H,1,3H2,2H3,(H,11,12).
What are the key properties of 3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide?
3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide has a molecular weight of 183.64 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-6-methylidenecyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 170055880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).