(2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate

C9H15NO3 — CID 118360950

IUPAC(2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OCC1C=C1C
InChIInChI=1S/C9H15NO3/c1-7-5-8(7)6-13-9(11)10-3-4-12-2/h5,8H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyXXPQMQIFIUZMTL-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.94
Rot. Bonds5

About (2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate

(2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate (PubChem CID 118360950) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name(2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate
PubChem CID118360950
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate
SMILESCOCCNC(=O)OCC1C=C1C
InChIInChI=1S/C9H15NO3/c1-7-5-8(7)6-13-9(11)10-3-4-12-2/h5,8H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyXXPQMQIFIUZMTL-UHFFFAOYSA-N
XLogP0.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)methyl N-(2-methoxyethyl)carbamate?
The IUPAC name of (2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate (CID 118360950) is (2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate.
What is the SMILES notation for (2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate?
The canonical SMILES for (2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate is COCCNC(=O)OCC1C=C1C.
What is the InChIKey of (2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate?
The InChIKey is XXPQMQIFIUZMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7-5-8(7)6-13-9(11)10-3-4-12-2/h5,8H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of (2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate?
(2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate has a molecular weight of 185.22 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcycloprop-2-en-1-yl)methyl N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 118360950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).