acetaldehyde;ethyl carbamate

C5H11NO3 — CID 23340289

IUPACacetaldehyde;ethyl carbamate
SMILESCC=O.CCOC(N)=O
InChIInChI=1S/C3H7NO2.C2H4O/c1-2-6-3(4)5;1-2-3/h2H2,1H3,(H2,4,5);2H,1H3
InChIKeyAJUYMNXOSFNXNF-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.31
Rot. Bonds1

About acetaldehyde;ethyl carbamate

acetaldehyde;ethyl carbamate (PubChem CID 23340289) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is acetaldehyde;ethyl carbamate.

Molecular Properties

Compound Nameacetaldehyde;ethyl carbamate
PubChem CID23340289
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameacetaldehyde;ethyl carbamate
SMILESCC=O.CCOC(N)=O
InChIInChI=1S/C3H7NO2.C2H4O/c1-2-6-3(4)5;1-2-3/h2H2,1H3,(H2,4,5);2H,1H3
InChIKeyAJUYMNXOSFNXNF-UHFFFAOYSA-N
XLogP0.31
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl carbamate
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ethyl carbamate
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ethyl carbamate
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ethyl carbamate;platinum
CID 174699937
CID 173388727
CID 173388727
ethyl carbamate;oxotitanium
CID 174887508
ethyl carbamate;2,2,2-trichloroacetaldehyde
CID 87356795
acetic acid;ethyl carbamate
CID 157349378
boric acid;ethyl carbamate
CID 161179489
ethyl carbamate;(E)-2-methylbut-2-enoic acid
CID 22492613
carbonothioic O,S-acid;ethyl carbamate
CID 87891814
ethyl carbamate;bis(2-methylprop-1-ene)
CID 159122273

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethyl carbamate?
The IUPAC name of acetaldehyde;ethyl carbamate (CID 23340289) is acetaldehyde;ethyl carbamate.
What is the SMILES notation for acetaldehyde;ethyl carbamate?
The canonical SMILES for acetaldehyde;ethyl carbamate is CC=O.CCOC(N)=O.
What is the InChIKey of acetaldehyde;ethyl carbamate?
The InChIKey is AJUYMNXOSFNXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C2H4O/c1-2-6-3(4)5;1-2-3/h2H2,1H3,(H2,4,5);2H,1H3.
What are the key properties of acetaldehyde;ethyl carbamate?
acetaldehyde;ethyl carbamate has a molecular weight of 133.15 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethyl carbamate is sourced from PubChem (CID 23340289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).