(1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide

C9H15NO — CID 58806076

IUPAC(1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)[C@@H]1CC=CC[C@@H]1C
InChIInChI=1S/C9H15NO/c1-7-5-3-4-6-8(7)9(11)10-2/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyGWOOWPGKQGXGTB-JGVFFNPUSA-N
MW153.22 g/mol
LogP1.33
Rot. Bonds1

About (1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide

(1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide (PubChem CID 58806076) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide
PubChem CID58806076
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)[C@@H]1CC=CC[C@@H]1C
InChIInChI=1S/C9H15NO/c1-7-5-3-4-6-8(7)9(11)10-2/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyGWOOWPGKQGXGTB-JGVFFNPUSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide (CID 58806076) is (1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide is CNC(=O)[C@@H]1CC=CC[C@@H]1C.
What is the InChIKey of (1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide?
The InChIKey is GWOOWPGKQGXGTB-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-5-3-4-6-8(7)9(11)10-2/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)/t7-,8+/m0/s1.
What are the key properties of (1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide?
(1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide has a molecular weight of 153.22 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N,6-dimethylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 58806076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).