(2-methylcycloprop-2-en-1-yl) N-methylcarbamate

C6H9NO2 — CID 175367622

IUPAC(2-methylcycloprop-2-en-1-yl) N-methylcarbamate
SMILESCNC(=O)OC1C=C1C
InChIInChI=1S/C6H9NO2/c1-4-3-5(4)9-6(8)7-2/h3,5H,1-2H3,(H,7,8)
InChIKeyZFUVYIBJZVPKPH-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.67
Rot. Bonds1

About (2-methylcycloprop-2-en-1-yl) N-methylcarbamate

(2-methylcycloprop-2-en-1-yl) N-methylcarbamate (PubChem CID 175367622) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2-methylcycloprop-2-en-1-yl) N-methylcarbamate.

Molecular Properties

Compound Name(2-methylcycloprop-2-en-1-yl) N-methylcarbamate
PubChem CID175367622
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2-methylcycloprop-2-en-1-yl) N-methylcarbamate
SMILESCNC(=O)OC1C=C1C
InChIInChI=1S/C6H9NO2/c1-4-3-5(4)9-6(8)7-2/h3,5H,1-2H3,(H,7,8)
InChIKeyZFUVYIBJZVPKPH-UHFFFAOYSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylcycloprop-2-en-1-yl) N-methylcarbamate?
The IUPAC name of (2-methylcycloprop-2-en-1-yl) N-methylcarbamate (CID 175367622) is (2-methylcycloprop-2-en-1-yl) N-methylcarbamate.
What is the SMILES notation for (2-methylcycloprop-2-en-1-yl) N-methylcarbamate?
The canonical SMILES for (2-methylcycloprop-2-en-1-yl) N-methylcarbamate is CNC(=O)OC1C=C1C.
What is the InChIKey of (2-methylcycloprop-2-en-1-yl) N-methylcarbamate?
The InChIKey is ZFUVYIBJZVPKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-3-5(4)9-6(8)7-2/h3,5H,1-2H3,(H,7,8).
What are the key properties of (2-methylcycloprop-2-en-1-yl) N-methylcarbamate?
(2-methylcycloprop-2-en-1-yl) N-methylcarbamate has a molecular weight of 127.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcycloprop-2-en-1-yl) N-methylcarbamate is sourced from PubChem (CID 175367622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).