but-2-enyl N,N-diethylcarbamate

C9H17NO2 — CID 4137562

IUPACbut-2-enyl N,N-diethylcarbamate
SMILESCC=CCOC(=O)N(CC)CC
InChIInChI=1S/C9H17NO2/c1-4-7-8-12-9(11)10(5-2)6-3/h4,7H,5-6,8H2,1-3H3
InChIKeyGPQOETOSFOBIQE-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.04
Rot. Bonds4

About but-2-enyl N,N-diethylcarbamate

but-2-enyl N,N-diethylcarbamate (PubChem CID 4137562) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is but-2-enyl N,N-diethylcarbamate.

Molecular Properties

Compound Namebut-2-enyl N,N-diethylcarbamate
PubChem CID4137562
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namebut-2-enyl N,N-diethylcarbamate
SMILESCC=CCOC(=O)N(CC)CC
InChIInChI=1S/C9H17NO2/c1-4-7-8-12-9(11)10(5-2)6-3/h4,7H,5-6,8H2,1-3H3
InChIKeyGPQOETOSFOBIQE-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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Related Compounds

Diethyl-carbamic acid but-2-enyl ester
CID 6018985
prop-2-enyl N,N-di(propan-2-yl)carbamate
CID 11275447
(E)-but-2-en-1-yl dimethylcarbamate
CID 134880713
Carbamic acid, dibutyl-, 2-propenyl ester
CID 225297
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 10888910
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;tris(diethylazanide);titanium(4+)
CID 12768305
lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 12901922
3-methylbut-2-enyl N,N-di(propan-2-yl)carbamate
CID 12901923
lithium 3-methylbut-2-enyl N,N-di(propan-2-yl)carbamate
CID 12901924
But-2-en-1-yl dipropan-2-ylcarbamate
CID 71420949
[(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 135046717
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;tris(dimethylazanide);titanium(4+)
CID 135046778

Frequently Asked Questions

What is the IUPAC name of but-2-enyl N,N-diethylcarbamate?
The IUPAC name of but-2-enyl N,N-diethylcarbamate (CID 4137562) is but-2-enyl N,N-diethylcarbamate.
What is the SMILES notation for but-2-enyl N,N-diethylcarbamate?
The canonical SMILES for but-2-enyl N,N-diethylcarbamate is CC=CCOC(=O)N(CC)CC.
What is the InChIKey of but-2-enyl N,N-diethylcarbamate?
The InChIKey is GPQOETOSFOBIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-8-12-9(11)10(5-2)6-3/h4,7H,5-6,8H2,1-3H3.
What are the key properties of but-2-enyl N,N-diethylcarbamate?
but-2-enyl N,N-diethylcarbamate 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 but-2-enyl N,N-diethylcarbamate is sourced from PubChem (CID 4137562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).