3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide

C10H16ClNO — CID 123893865

IUPAC3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide
SMILESC=C1CC(Cl)CC(C(=O)N(C)C)C1
InChIInChI=1S/C10H16ClNO/c1-7-4-8(6-9(11)5-7)10(13)12(2)3/h8-9H,1,4-6H2,2-3H3
InChIKeyFSSUQGTUBBUFES-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.04
Rot. Bonds1

About 3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide

3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide (PubChem CID 123893865) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide
PubChem CID123893865
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide
SMILESC=C1CC(Cl)CC(C(=O)N(C)C)C1
InChIInChI=1S/C10H16ClNO/c1-7-4-8(6-9(11)5-7)10(13)12(2)3/h8-9H,1,4-6H2,2-3H3
InChIKeyFSSUQGTUBBUFES-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide?
The IUPAC name of 3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide (CID 123893865) is 3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide.
What is the SMILES notation for 3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide?
The canonical SMILES for 3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide is C=C1CC(Cl)CC(C(=O)N(C)C)C1.
What is the InChIKey of 3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide?
The InChIKey is FSSUQGTUBBUFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-7-4-8(6-9(11)5-7)10(13)12(2)3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide?
3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide has a molecular weight of 201.70 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,N-dimethyl-5-methylidenecyclohexane-1-carboxamide is sourced from PubChem (CID 123893865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).