N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide

C12H19NO2 — CID 104927999

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)C1CC=CC1
InChIInChI=1S/C12H19NO2/c14-11-8-4-3-7-10(11)13-12(15)9-5-1-2-6-9/h1-2,9-11,14H,3-8H2,(H,13,15)/t10-,11-/m1/s1
InChIKeyMIUVCBIEPZNSIA-GHMZBOCLSA-N
MW209.29 g/mol
LogP1.37
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide (PubChem CID 104927999) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide
PubChem CID104927999
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1O)C1CC=CC1
InChIInChI=1S/C12H19NO2/c14-11-8-4-3-7-10(11)13-12(15)9-5-1-2-6-9/h1-2,9-11,14H,3-8H2,(H,13,15)/t10-,11-/m1/s1
InChIKeyMIUVCBIEPZNSIA-GHMZBOCLSA-N
XLogP1.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.37
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

N-[(1S,2S)-2-hydroxycyclooctyl]cyclopropanecarboxamide
CID 146041512
trans-(1R,2R)-2-(cyclopent-3-ene-1-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161395
3-amino-N-(2-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 66007557
(1S)-N-[(1S,2R)-2-methylcyclohexyl]cyclohex-3-ene-1-carboxamide
CID 100842555
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065
N-(2-methylpiperidin-3-yl)cyclopent-3-ene-1-carboxamide
CID 114694966
3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide
CID 114226447
N-[(1R,2R)-2-hydroxycyclohexyl]-5-methyloxolane-3-carboxamide
CID 102677288
N-(2-hydroxycyclopentyl)pyrrolidine-3-carboxamide
CID 130671373
N-(2-hydroxycyclohexyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103855439
N-[2-(cyclooctanecarbonylamino)cyclohexyl]cyclooctanecarboxamide
CID 171722262
4-N-[(1R,2R)-2-hydroxycyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 104927639

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide (CID 104927999) is N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide is O=C(N[C@@H]1CCCC[C@H]1O)C1CC=CC1.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is MIUVCBIEPZNSIA-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19NO2/c14-11-8-4-3-7-10(11)13-12(15)9-5-1-2-6-9/h1-2,9-11,14H,3-8H2,(H,13,15)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 104927999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).