cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate

C11H20N2O2 — CID 156899477

IUPACcyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate
SMILESNC/C=C/CNC(=O)OC1CCCCC1
InChIInChI=1S/C11H20N2O2/c12-8-4-5-9-13-11(14)15-10-6-2-1-3-7-10/h4-5,10H,1-3,6-9,12H2,(H,13,14)/b5-4+
InChIKeyLSWMJFATQHQZON-SNAWJCMRSA-N
MW212.29 g/mol
LogP1.56
Rot. Bonds4

About cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate

cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate (PubChem CID 156899477) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate
PubChem CID156899477
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namecyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate
SMILESNC/C=C/CNC(=O)OC1CCCCC1
InChIInChI=1S/C11H20N2O2/c12-8-4-5-9-13-11(14)15-10-6-2-1-3-7-10/h4-5,10H,1-3,6-9,12H2,(H,13,14)/b5-4+
InChIKeyLSWMJFATQHQZON-SNAWJCMRSA-N
XLogP1.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl N-ethylcarbamate
CID 22978796
cyclopentyl N-[(E)-3-cyclohex-3-en-1-ylprop-2-enyl]carbamate
CID 58895178
cyclopentyl N-ethylcarbamate
CID 54482890
cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
cyclohexyl N-(2-cyclopropyl-2-oxoethyl)carbamate
CID 70312043
cyclohexyl N-aminocarbamate;dihydrochloride
CID 174604488
cyclooctyl (E)-5-(9H-fluoren-9-ylmethoxycarbonylamino)pent-3-enoate
CID 131991680
cyclopropyl N-(2-aminoethyl)carbamate
CID 105428634
cyclopentyl N-(2,2-dimethylpropyl)carbamate
CID 149292463
tert-butyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 18947920
[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate
CID 138548914
dicyclononyl carbonate
CID 139618210

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate?
The IUPAC name of cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate (CID 156899477) is cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate.
What is the SMILES notation for cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate?
The canonical SMILES for cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate is NC/C=C/CNC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate?
The InChIKey is LSWMJFATQHQZON-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-8-4-5-9-13-11(14)15-10-6-2-1-3-7-10/h4-5,10H,1-3,6-9,12H2,(H,13,14)/b5-4+.
What are the key properties of cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate?
cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[(E)-4-aminobut-2-enyl]carbamate is sourced from PubChem (CID 156899477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).