ethyl N-propan-2-yl-N-prop-1-enylcarbamate

C9H17NO2 — CID 141403308

IUPACethyl N-propan-2-yl-N-prop-1-enylcarbamate
SMILESCC=CN(C(=O)OCC)C(C)C
InChIInChI=1S/C9H17NO2/c1-5-7-10(8(3)4)9(11)12-6-2/h5,7-8H,6H2,1-4H3
InChIKeyISJFSEQVOIVCOY-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.39
Rot. Bonds3

About ethyl N-propan-2-yl-N-prop-1-enylcarbamate

ethyl N-propan-2-yl-N-prop-1-enylcarbamate (PubChem CID 141403308) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl N-propan-2-yl-N-prop-1-enylcarbamate.

Molecular Properties

Compound Nameethyl N-propan-2-yl-N-prop-1-enylcarbamate
PubChem CID141403308
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl N-propan-2-yl-N-prop-1-enylcarbamate
SMILESCC=CN(C(=O)OCC)C(C)C
InChIInChI=1S/C9H17NO2/c1-5-7-10(8(3)4)9(11)12-6-2/h5,7-8H,6H2,1-4H3
InChIKeyISJFSEQVOIVCOY-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl N-propan-2-yl-N-prop-1-enylcarbamate 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 ethyl N-propan-2-yl-N-prop-1-enylcarbamate?
The IUPAC name of ethyl N-propan-2-yl-N-prop-1-enylcarbamate (CID 141403308) is ethyl N-propan-2-yl-N-prop-1-enylcarbamate.
What is the SMILES notation for ethyl N-propan-2-yl-N-prop-1-enylcarbamate?
The canonical SMILES for ethyl N-propan-2-yl-N-prop-1-enylcarbamate is CC=CN(C(=O)OCC)C(C)C.
What is the InChIKey of ethyl N-propan-2-yl-N-prop-1-enylcarbamate?
The InChIKey is ISJFSEQVOIVCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-7-10(8(3)4)9(11)12-6-2/h5,7-8H,6H2,1-4H3.
What are the key properties of ethyl N-propan-2-yl-N-prop-1-enylcarbamate?
ethyl N-propan-2-yl-N-prop-1-enylcarbamate has a molecular weight of 171.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-propan-2-yl-N-prop-1-enylcarbamate is sourced from PubChem (CID 141403308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).