ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate

C9H17NO2 — CID 12597408

IUPACethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate
SMILESC=C(C)CN(CC)C(=O)OCC
InChIInChI=1S/C9H17NO2/c1-5-10(7-8(3)4)9(11)12-6-2/h3,5-7H2,1-2,4H3
InChIKeyMIEINIFBMKAVSE-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.04
Rot. Bonds4

About ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate

ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate (PubChem CID 12597408) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate.

Molecular Properties

Compound Nameethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate
PubChem CID12597408
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate
SMILESC=C(C)CN(CC)C(=O)OCC
InChIInChI=1S/C9H17NO2/c1-5-10(7-8(3)4)9(11)12-6-2/h3,5-7H2,1-2,4H3
InChIKeyMIEINIFBMKAVSE-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
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 ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate?
The IUPAC name of ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate (CID 12597408) is ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate.
What is the SMILES notation for ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate?
The canonical SMILES for ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate is C=C(C)CN(CC)C(=O)OCC.
What is the InChIKey of ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate?
The InChIKey is MIEINIFBMKAVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-10(7-8(3)4)9(11)12-6-2/h3,5-7H2,1-2,4H3.
What are the key properties of ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate?
ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethyl-N-(2-methylprop-2-enyl)carbamate is sourced from PubChem (CID 12597408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).