ethyl N-methyl-N-pent-4-enylcarbamate

C9H17NO2 — CID 115640377

IUPACethyl N-methyl-N-pent-4-enylcarbamate
SMILESC=CCCCN(C)C(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-8-10(3)9(11)12-5-2/h4H,1,5-8H2,2-3H3
InChIKeyGIKGAPGMZOCSLY-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.04
Rot. Bonds5

About ethyl N-methyl-N-pent-4-enylcarbamate

ethyl N-methyl-N-pent-4-enylcarbamate (PubChem CID 115640377) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl N-methyl-N-pent-4-enylcarbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-pent-4-enylcarbamate
PubChem CID115640377
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl N-methyl-N-pent-4-enylcarbamate
SMILESC=CCCCN(C)C(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-6-7-8-10(3)9(11)12-5-2/h4H,1,5-8H2,2-3H3
InChIKeyGIKGAPGMZOCSLY-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(but-3-en-1-yl)-N-methylcarbamate
CID 18624577
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-, ethyl ester
CID 10997267
Carbamic acid, dibutyl-, 2-propenyl ester
CID 225297
methyl N-ethyl-N-pent-4-en-2-ylcarbamate
CID 11816123
ethyl N-but-3-enyl-N-prop-1-en-2-ylcarbamate
CID 11816252
hex-5-enyl N,N-diethylcarbamate
CID 45103409
ethyl N-pent-4-enyl-N-prop-1-en-2-ylcarbamate
CID 101149474
ethyl N-hex-5-enyl-N-prop-1-en-2-ylcarbamate
CID 101149478
2,2,2-trifluoroethyl N-methyl-N-pent-4-enylcarbamate
CID 115640629
tert-butyl N-(pent-4-en-1-yl)-N-(prop-2-en-1-yl)carbamate
CID 11241613
Tert-butyl N-methyl-N-(pent-4-EN-1-YL)carbamate
CID 20756745
Ethoxycarbonyl-(methoxymethyl)-methyl-prop-2-enylazanium
CID 54507605

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-pent-4-enylcarbamate?
The IUPAC name of ethyl N-methyl-N-pent-4-enylcarbamate (CID 115640377) is ethyl N-methyl-N-pent-4-enylcarbamate.
What is the SMILES notation for ethyl N-methyl-N-pent-4-enylcarbamate?
The canonical SMILES for ethyl N-methyl-N-pent-4-enylcarbamate is C=CCCCN(C)C(=O)OCC.
What is the InChIKey of ethyl N-methyl-N-pent-4-enylcarbamate?
The InChIKey is GIKGAPGMZOCSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-7-8-10(3)9(11)12-5-2/h4H,1,5-8H2,2-3H3.
What are the key properties of ethyl N-methyl-N-pent-4-enylcarbamate?
ethyl N-methyl-N-pent-4-enylcarbamate has a molecular weight of 171.24 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-pent-4-enylcarbamate is sourced from PubChem (CID 115640377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).