cyclohexyl N-ethylidenecarbamate

C9H15NO2 — CID 56637848

IUPACcyclohexyl N-ethylidenecarbamate
SMILESCC=NC(=O)OC1CCCCC1
InChIInChI=1S/C9H15NO2/c1-2-10-9(11)12-8-6-4-3-5-7-8/h2,8H,3-7H2,1H3
InChIKeyVJAJDUZWTSBSJC-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.55
Rot. Bonds1

About cyclohexyl N-ethylidenecarbamate

cyclohexyl N-ethylidenecarbamate (PubChem CID 56637848) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is cyclohexyl N-ethylidenecarbamate.

Molecular Properties

Compound Namecyclohexyl N-ethylidenecarbamate
PubChem CID56637848
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namecyclohexyl N-ethylidenecarbamate
SMILESCC=NC(=O)OC1CCCCC1
InChIInChI=1S/C9H15NO2/c1-2-10-9(11)12-8-6-4-3-5-7-8/h2,8H,3-7H2,1H3
InChIKeyVJAJDUZWTSBSJC-UHFFFAOYSA-N
XLogP2.55
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl N-ethylidenecarbamate;methane;morpholine
CID 142239577
cyclopentyl N-cyclohexyloxycarbonyliminocarbamate
CID 140646211
cyclohexyl N-[(4-methylphenyl)methylidene]carbamate
CID 2759800
cyclohexyl 2-hydroxybut-2-enoate
CID 141455466
cyclohexyl 1-(ethylideneamino)ethyl carbonate
CID 163564117
cycloheptadecyl acetate
CID 57215828
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-ethylidenecarbamate?
The IUPAC name of cyclohexyl N-ethylidenecarbamate (CID 56637848) is cyclohexyl N-ethylidenecarbamate.
What is the SMILES notation for cyclohexyl N-ethylidenecarbamate?
The canonical SMILES for cyclohexyl N-ethylidenecarbamate is CC=NC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-ethylidenecarbamate?
The InChIKey is VJAJDUZWTSBSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-10-9(11)12-8-6-4-3-5-7-8/h2,8H,3-7H2,1H3.
What are the key properties of cyclohexyl N-ethylidenecarbamate?
cyclohexyl N-ethylidenecarbamate has a molecular weight of 169.22 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-ethylidenecarbamate is sourced from PubChem (CID 56637848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).