prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate

C11H19NO3 — CID 23189741

IUPACprop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate
SMILESC=CCOC(=O)N(C)C1CCCCC1O
InChIInChI=1S/C11H19NO3/c1-3-8-15-11(14)12(2)9-6-4-5-7-10(9)13/h3,9-10,13H,1,4-8H2,2H3
InChIKeyHAURMHKGMFVIPM-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.54
Rot. Bonds3

About prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate

prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate (PubChem CID 23189741) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate
PubChem CID23189741
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameprop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate
SMILESC=CCOC(=O)N(C)C1CCCCC1O
InChIInChI=1S/C11H19NO3/c1-3-8-15-11(14)12(2)9-6-4-5-7-10(9)13/h3,9-10,13H,1,4-8H2,2H3
InChIKeyHAURMHKGMFVIPM-UHFFFAOYSA-N
XLogP1.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylpropanamide
CID 106114022
N-(2-hydroxycyclohexyl)-2-methoxy-N-methylacetamide
CID 102634610
2-(1-aminocyclobutyl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102632099
(E)-4-[(2-hydroxycyclohexyl)-methylamino]but-2-enoic acid
CID 102632738
3-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102632066
ethyl N-(2-aminocyclohexyl)-N-methylcarbamate
CID 102639245
2-cyclobutyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 103164780
2-cycloheptyl-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102635605
2-[(2-hydroxycycloheptyl)-prop-2-enylamino]acetic acid
CID 79275648
2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide
CID 102632097
2-[(2-hydroxycyclohexyl)-methylamino]cycloheptan-1-ol
CID 102635791
2-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide
CID 102631757

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate?
The IUPAC name of prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate (CID 23189741) is prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate.
What is the SMILES notation for prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate?
The canonical SMILES for prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate is C=CCOC(=O)N(C)C1CCCCC1O.
What is the InChIKey of prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate?
The InChIKey is HAURMHKGMFVIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-8-15-11(14)12(2)9-6-4-5-7-10(9)13/h3,9-10,13H,1,4-8H2,2H3.
What are the key properties of prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate?
prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate has a molecular weight of 213.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2-hydroxycyclohexyl)-N-methylcarbamate is sourced from PubChem (CID 23189741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).