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

C8H13NO2 — CID 45084418

IUPAC(1S,5S)-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+/m0/s1
InChIKeyIBJQHTBQSDKMRL-NKWVEPMBSA-N
MW155.20 g/mol
LogP0.06
Rot. Bonds1

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

(1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 45084418) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide
PubChem CID45084418
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,5S)-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+/m0/s1
InChIKeyIBJQHTBQSDKMRL-NKWVEPMBSA-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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Related Compounds

1-(5-hydroxycyclohex-3-en-1-yl)ethanone
CID 71436445
(1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide
CID 86334449
ethyl 5-hydroxycyclohex-3-ene-1-carboxylate
CID 72828488
propan-2-yl (1R,5S)-5-hydroxycyclohex-3-ene-1-carboxylate
CID 155431026
3-fluoro-N-methylcyclobutane-1-carboxamide
CID 144873088
(3S)-3-(methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54034306
N-cyclopent-3-en-1-yl-3-(methylamino)cyclobutane-1-carboxamide
CID 164651418
(1R,5S,6R,7S)-6,7-dihydroxy-N-methyl-8-oxabicyclo[3.2.1]octane-3-carboxamide
CID 122644896
benzyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate
CID 11356711
5-iodocyclohex-2-en-1-ol
CID 146915953
methyl (1R,5S)-5-methoxycarbonyloxycyclohex-3-ene-1-carboxylate
CID 134872441
1-[(1S,5R)-5-methylcyclohex-3-en-1-yl]ethanone
CID 11040773

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide (CID 45084418) is (1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide is CNC(=O)[C@H]1CC=C[C@@H](O)C1.
What is the InChIKey of (1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is IBJQHTBQSDKMRL-NKWVEPMBSA-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+/m0/s1.
What are the key properties of (1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide?
(1S,5S)-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 (1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 45084418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).