methyl N-cyclopent-2-en-1-ylcarbamate

C7H11NO2 — CID 549087

IUPACmethyl N-cyclopent-2-en-1-ylcarbamate
SMILESCOC(=O)NC1C=CCC1
InChIInChI=1S/C7H11NO2/c1-10-7(9)8-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3,(H,8,9)
InChIKeyYQKQEAZSSQNHIT-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.06
Rot. Bonds1

About methyl N-cyclopent-2-en-1-ylcarbamate

methyl N-cyclopent-2-en-1-ylcarbamate (PubChem CID 549087) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl N-cyclopent-2-en-1-ylcarbamate.

Molecular Properties

Compound Namemethyl N-cyclopent-2-en-1-ylcarbamate
PubChem CID549087
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl N-cyclopent-2-en-1-ylcarbamate
SMILESCOC(=O)NC1C=CCC1
InChIInChI=1S/C7H11NO2/c1-10-7(9)8-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3,(H,8,9)
InChIKeyYQKQEAZSSQNHIT-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbamic acid, 2-cyclohexen-1-yl-, methyl ester
CID 10313230
methyl N-cyclohex-3-en-1-ylcarbamate
CID 11819259
methyl N-cyclohexa-2,4-dien-1-ylcarbamate
CID 13395674
ethyl N-cyclopent-2-en-1-ylcarbamate
CID 14967599
tert-butyl N-[(1R)-cyclopent-2-en-1-yl]carbamate
CID 45092400
methyl N-cyclohept-4-en-1-ylcarbamate
CID 10103562
methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate
CID 20614529
Methyl (1R,6R)-6-iodo-3-cyclohexen-1-ylcarbamate
CID 90482110
methyl N-[(1S,6S)-6-iodocyclohex-3-en-1-yl]carbamate
CID 92249469
methyl N-(6-fluorocyclohex-3-en-1-yl)carbamate
CID 275911
Methyl hydrogen (6-iodocyclohex-3-en-1-yl)carbonimidate
CID 275917
Carbamic acid, 3-cyclopenten-1-yl-, methyl ester
CID 554414

Frequently Asked Questions

What is the IUPAC name of methyl N-cyclopent-2-en-1-ylcarbamate?
The IUPAC name of methyl N-cyclopent-2-en-1-ylcarbamate (CID 549087) is methyl N-cyclopent-2-en-1-ylcarbamate.
What is the SMILES notation for methyl N-cyclopent-2-en-1-ylcarbamate?
The canonical SMILES for methyl N-cyclopent-2-en-1-ylcarbamate is COC(=O)NC1C=CCC1.
What is the InChIKey of methyl N-cyclopent-2-en-1-ylcarbamate?
The InChIKey is YQKQEAZSSQNHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-7(9)8-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3,(H,8,9).
What are the key properties of methyl N-cyclopent-2-en-1-ylcarbamate?
methyl N-cyclopent-2-en-1-ylcarbamate has a molecular weight of 141.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclopent-2-en-1-ylcarbamate is sourced from PubChem (CID 549087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).