ethenyl N-cyclopropylcarbamate

C6H9NO2 — CID 154238495

IUPACethenyl N-cyclopropylcarbamate
SMILESC=COC(=O)NC1CC1
InChIInChI=1S/C6H9NO2/c1-2-9-6(8)7-5-3-4-5/h2,5H,1,3-4H2,(H,7,8)
InChIKeyHLZXTMXJLWPVIC-UHFFFAOYSA-N
MW127.14 g/mol
LogP1.02
Rot. Bonds2

About ethenyl N-cyclopropylcarbamate

ethenyl N-cyclopropylcarbamate (PubChem CID 154238495) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is ethenyl N-cyclopropylcarbamate.

Molecular Properties

Compound Nameethenyl N-cyclopropylcarbamate
PubChem CID154238495
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Nameethenyl N-cyclopropylcarbamate
SMILESC=COC(=O)NC1CC1
InChIInChI=1S/C6H9NO2/c1-2-9-6(8)7-5-3-4-5/h2,5H,1,3-4H2,(H,7,8)
InChIKeyHLZXTMXJLWPVIC-UHFFFAOYSA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl N-cyclohexylcarbamate
CID 11126927
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
[4-[[4-[[4-[[4-(prop-2-enoyloxymethyl)cyclohexyl]methoxycarbonylamino]cyclohexyl]methyl]cyclohexyl]carbamoyloxymethyl]cyclohexyl]methyl prop-2-enoate
CID 89212123
N,N'-dicyclopropylbutanediamide
CID 5225156
cyclopentylcarbamoperoxoic acid
CID 143557914
N,N'-dicyclopropyldecanediamide
CID 4668836
ethenyl N-methoxycarbamate
CID 59601717
cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 106320412
[(3E)-hexa-1,3,5-trien-3-yl] N-cyclohexylcarbamate
CID 154687231
tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate
CID 163587025

Frequently Asked Questions

What is the IUPAC name of ethenyl N-cyclopropylcarbamate?
The IUPAC name of ethenyl N-cyclopropylcarbamate (CID 154238495) is ethenyl N-cyclopropylcarbamate.
What is the SMILES notation for ethenyl N-cyclopropylcarbamate?
The canonical SMILES for ethenyl N-cyclopropylcarbamate is C=COC(=O)NC1CC1.
What is the InChIKey of ethenyl N-cyclopropylcarbamate?
The InChIKey is HLZXTMXJLWPVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-9-6(8)7-5-3-4-5/h2,5H,1,3-4H2,(H,7,8).
What are the key properties of ethenyl N-cyclopropylcarbamate?
ethenyl N-cyclopropylcarbamate has a molecular weight of 127.14 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-cyclopropylcarbamate is sourced from PubChem (CID 154238495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).