ethyl N-but-3-en-2-ylcarbamate

C7H13NO2 — CID 55287045

IUPACethyl N-but-3-en-2-ylcarbamate
SMILESC=CC(C)NC(=O)OCC
InChIInChI=1S/C7H13NO2/c1-4-6(3)8-7(9)10-5-2/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyWVDWDPTTXOSHAL-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.31
Rot. Bonds3

About ethyl N-but-3-en-2-ylcarbamate

ethyl N-but-3-en-2-ylcarbamate (PubChem CID 55287045) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl N-but-3-en-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-but-3-en-2-ylcarbamate
PubChem CID55287045
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl N-but-3-en-2-ylcarbamate
SMILESC=CC(C)NC(=O)OCC
InChIInChI=1S/C7H13NO2/c1-4-6(3)8-7(9)10-5-2/h4,6H,1,5H2,2-3H3,(H,8,9)
InChIKeyWVDWDPTTXOSHAL-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
ethyl N-(5-hydroxypent-1-en-3-yl)carbamate
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but-3-en-2-ylcarbamoyl acetate
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ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
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ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
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ethyl N-(5,5-dimethoxypent-1-en-3-yl)carbamate
CID 142796678
ethyl N-(1-bromopropan-2-yl)carbamate
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ethyl N-[1-(ethoxycarbonylamino)-2-sulfanylideneethyl]carbamate
CID 123793840
ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate
CID 103264908
ethyl N-(1-hydroxypropyl)carbamate
CID 87232302
ethyl N-ethenoxycarbamate
CID 57488502

Frequently Asked Questions

What is the IUPAC name of ethyl N-but-3-en-2-ylcarbamate?
The IUPAC name of ethyl N-but-3-en-2-ylcarbamate (CID 55287045) is ethyl N-but-3-en-2-ylcarbamate.
What is the SMILES notation for ethyl N-but-3-en-2-ylcarbamate?
The canonical SMILES for ethyl N-but-3-en-2-ylcarbamate is C=CC(C)NC(=O)OCC.
What is the InChIKey of ethyl N-but-3-en-2-ylcarbamate?
The InChIKey is WVDWDPTTXOSHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(3)8-7(9)10-5-2/h4,6H,1,5H2,2-3H3,(H,8,9).
What are the key properties of ethyl N-but-3-en-2-ylcarbamate?
ethyl N-but-3-en-2-ylcarbamate has a molecular weight of 143.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-but-3-en-2-ylcarbamate is sourced from PubChem (CID 55287045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).