(1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide

C14H17NO2 — CID 86334449

IUPAC(1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CC=C[C@H](O)C1
InChIInChI=1S/C14H17NO2/c16-13-8-4-7-12(9-13)14(17)15-10-11-5-2-1-3-6-11/h1-6,8,12-13,16H,7,9-10H2,(H,15,17)/t12-,13-/m0/s1
InChIKeyKTDOESRHDXCBKT-STQMWFEESA-N
MW231.30 g/mol
LogP1.63
Rot. Bonds3

About (1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide

(1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide (PubChem CID 86334449) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide
PubChem CID86334449
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CC=C[C@H](O)C1
InChIInChI=1S/C14H17NO2/c16-13-8-4-7-12(9-13)14(17)15-10-11-5-2-1-3-6-11/h1-6,8,12-13,16H,7,9-10H2,(H,15,17)/t12-,13-/m0/s1
InChIKeyKTDOESRHDXCBKT-STQMWFEESA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.63
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

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CID 21217684
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 75437000
N-benzylpiperidine-4-carboxamide
CID 3868064
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide (CID 86334449) is (1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide is O=C(NCc1ccccc1)[C@H]1CC=C[C@H](O)C1.
What is the InChIKey of (1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide?
The InChIKey is KTDOESRHDXCBKT-STQMWFEESA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-8-4-7-12(9-13)14(17)15-10-11-5-2-1-3-6-11/h1-6,8,12-13,16H,7,9-10H2,(H,15,17)/t12-,13-/m0/s1.
What are the key properties of (1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide?
(1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-benzyl-5-hydroxycyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 86334449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).