ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate

C11H21NO2 — CID 126539692

IUPACethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate
SMILESC=C(C)C(C)CCN(C)C(=O)OCC
InChIInChI=1S/C11H21NO2/c1-6-14-11(13)12(5)8-7-10(4)9(2)3/h10H,2,6-8H2,1,3-5H3
InChIKeyRQZYCQLQZZQPGL-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.68
Rot. Bonds5

About ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate

ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate (PubChem CID 126539692) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate
PubChem CID126539692
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate
SMILESC=C(C)C(C)CCN(C)C(=O)OCC
InChIInChI=1S/C11H21NO2/c1-6-14-11(13)12(5)8-7-10(4)9(2)3/h10H,2,6-8H2,1,3-5H3
InChIKeyRQZYCQLQZZQPGL-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.68
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-(3,4-dimethylpent-4-enyl)-N-methylcarbamate?
The IUPAC name of ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate (CID 126539692) is ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate is C=C(C)C(C)CCN(C)C(=O)OCC.
What is the InChIKey of ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate?
The InChIKey is RQZYCQLQZZQPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-14-11(13)12(5)8-7-10(4)9(2)3/h10H,2,6-8H2,1,3-5H3.
What are the key properties of ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate?
ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate has a molecular weight of 199.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3,4-dimethylpent-4-enyl)-N-methylcarbamate is sourced from PubChem (CID 126539692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).