N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide

C12H19NO2 — CID 71796850

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1(CO)CC1)C1CC=CCC1
InChIInChI=1S/C12H19NO2/c14-9-12(6-7-12)8-13-11(15)10-4-2-1-3-5-10/h1-2,10,14H,3-9H2,(H,13,15)
InChIKeyMIDBNJUUEXAKQH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.23
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71796850) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID71796850
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1(CO)CC1)C1CC=CCC1
InChIInChI=1S/C12H19NO2/c14-9-12(6-7-12)8-13-11(15)10-4-2-1-3-5-10/h1-2,10,14H,3-9H2,(H,13,15)
InChIKeyMIDBNJUUEXAKQH-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.23
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-(2-cyclopropyl-2-hydroxypropyl)cyclohex-3-enecarboxamide
CID 71796730
N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-enecarboxamide
CID 71796915
2-[(1R)-cyclopent-2-en-1-yl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 95223948
2-[(Cyclohex-3-ene-1-carbonylamino)methyl]-3-cyclopropylpropanoic acid
CID 132387651
N-(2,2-difluoro-3-hydroxypropyl)cyclohex-3-ene-1-carboxamide
CID 104857134
N-(3-methoxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide
CID 56748456
2-cyclopent-2-en-1-yl-N-{[1-(hydroxymethyl)cyclopentyl]methyl}acetamide
CID 56756730
N-(2-hydroxyethyl)cyclohex-3-ene-1-carboxamide
CID 23793660
N-(3-hydroxypropyl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
CID 54413716
N-[(2S)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 65808408
N-[(2R)-1-hydroxypropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 79030595
N-(3-hydroxy-2,2-dimethylpropyl)cyclohex-3-ene-1-carboxamide
CID 81649464

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide (CID 71796850) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NCC1(CO)CC1)C1CC=CCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is MIDBNJUUEXAKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-9-12(6-7-12)8-13-11(15)10-4-2-1-3-5-10/h1-2,10,14H,3-9H2,(H,13,15).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71796850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).