prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate

C9H13NO3 — CID 90445232

IUPACprop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate
SMILESC=C(C)OC(=O)NC(=O)C1(C)CC1
InChIInChI=1S/C9H13NO3/c1-6(2)13-8(12)10-7(11)9(3)4-5-9/h1,4-5H2,2-3H3,(H,10,11,12)
InChIKeyWKSKYTOCCULEIO-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.57
Rot. Bonds2

About prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate

prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate (PubChem CID 90445232) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate
PubChem CID90445232
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameprop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate
SMILESC=C(C)OC(=O)NC(=O)C1(C)CC1
InChIInChI=1S/C9H13NO3/c1-6(2)13-8(12)10-7(11)9(3)4-5-9/h1,4-5H2,2-3H3,(H,10,11,12)
InChIKeyWKSKYTOCCULEIO-UHFFFAOYSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate?
The IUPAC name of prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate (CID 90445232) is prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate.
What is the SMILES notation for prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate?
The canonical SMILES for prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate is C=C(C)OC(=O)NC(=O)C1(C)CC1.
What is the InChIKey of prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate?
The InChIKey is WKSKYTOCCULEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(2)13-8(12)10-7(11)9(3)4-5-9/h1,4-5H2,2-3H3,(H,10,11,12).
What are the key properties of prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate?
prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate has a molecular weight of 183.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-(1-methylcyclopropanecarbonyl)carbamate is sourced from PubChem (CID 90445232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).