(1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide

C8H13NO2 — CID 93496925

IUPAC(1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)[C@@H]1CC=C[C@H](O)C1
InChIInChI=1S/C8H13NO2/c1-9-8(11)6-3-2-4-7(10)5-6/h2,4,6-7,10H,3,5H2,1H3,(H,9,11)/t6-,7+/m1/s1
InChIKeyIBJQHTBQSDKMRL-RQJHMYQMSA-N
MW155.20 g/mol
LogP0.06
Rot. Bonds1

About (1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide

(1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 93496925) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide
PubChem CID93496925
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)[C@@H]1CC=C[C@H](O)C1
InChIInChI=1S/C8H13NO2/c1-9-8(11)6-3-2-4-7(10)5-6/h2,4,6-7,10H,3,5H2,1H3,(H,9,11)/t6-,7+/m1/s1
InChIKeyIBJQHTBQSDKMRL-RQJHMYQMSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide (CID 93496925) is (1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide is CNC(=O)[C@@H]1CC=C[C@H](O)C1.
What is the InChIKey of (1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is IBJQHTBQSDKMRL-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-8(11)6-3-2-4-7(10)5-6/h2,4,6-7,10H,3,5H2,1H3,(H,9,11)/t6-,7+/m1/s1.
What are the key properties of (1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide?
(1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 155.20 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 93496925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).