cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate

C12H19NO3 — CID 70312043

IUPACcyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate
SMILESO=C(NCC(=O)C1CC1)OC1CCCCC1
InChIInChI=1S/C12H19NO3/c14-11(9-6-7-9)8-13-12(15)16-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,15)
InChIKeyCCXFTUGLIKQENO-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.02
Rot. Bonds4

About cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate

cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate (PubChem CID 70312043) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate.

Molecular Properties

Compound Namecyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate
PubChem CID70312043
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namecyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate
SMILESO=C(NCC(=O)C1CC1)OC1CCCCC1
InChIInChI=1S/C12H19NO3/c14-11(9-6-7-9)8-13-12(15)16-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,15)
InChIKeyCCXFTUGLIKQENO-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl N-ethylcarbamate
CID 22978796
cyclopentyl N-ethylcarbamate
CID 54482890
cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
cyclopentyl N-(2,2-dimethylpropyl)carbamate
CID 149292463
dicyclononyl carbonate
CID 139618210
cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 156899477
(2-cyclopropyl-2-oxoethyl)carbamic acid
CID 135321318
cyclohexyl N-aminocarbamate;dihydrochloride
CID 174604488
cyclohexyl propanoate;dihydrochloride
CID 172803130
1-cycloheptyl-2-(cyclopropylamino)ethanone
CID 116555214
cyclohexyl N-cyclopentylcarbamate
CID 127539095
cyclopentyl N-methylcarbamate
CID 23548767

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate?
The IUPAC name of cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate (CID 70312043) is cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate.
What is the SMILES notation for cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate?
The canonical SMILES for cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate is O=C(NCC(=O)C1CC1)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate?
The InChIKey is CCXFTUGLIKQENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(9-6-7-9)8-13-12(15)16-10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,15).
What are the key properties of cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate?
cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate has a molecular weight of 225.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate is sourced from PubChem (CID 70312043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).