ethyl carbamate

C9H21N3O6 — CID 21202847

IUPACethyl carbamate
SMILESCCOC(N)=O.CCOC(N)=O.CCOC(N)=O
InChIInChI=1S/3C3H7NO2/c3*1-2-6-3(4)5/h3*2H2,1H3,(H2,4,5)
InChIKeyPMWMAMZZNZDFPJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.30
Rot. Bonds3

About ethyl carbamate

ethyl carbamate (PubChem CID 21202847) has the molecular formula C9H21N3O6 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl carbamate.

Molecular Properties

Compound Nameethyl carbamate
PubChem CID21202847
Molecular FormulaC9H21N3O6
Molecular Weight267.28 g/mol
Exact Mass267.14
IUPAC Nameethyl carbamate
SMILESCCOC(N)=O.CCOC(N)=O.CCOC(N)=O
InChIInChI=1S/3C3H7NO2/c3*1-2-6-3(4)5/h3*2H2,1H3,(H2,4,5)
InChIKeyPMWMAMZZNZDFPJ-UHFFFAOYSA-N
XLogP0.30
TPSA156.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

ethyl carbamate
CID 161409576
ethyl carbamate
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ethyl carbamate;platinum
CID 174699937
CID 173388727
CID 173388727
ethyl carbamate;oxotitanium
CID 174887508
boric acid;ethyl carbamate
CID 161179489
acetic acid;ethyl carbamate
CID 157349378
ethyl carbamate;bis(2-methylprop-1-ene)
CID 159122273
carbonothioic O,S-acid;ethyl carbamate
CID 87891814
ethyl carbamate;propanoic acid
CID 158069728
acetaldehyde;ethyl carbamate
CID 23340289
ethyl carbamate;hexane-1,6-diamine
CID 161407066

Frequently Asked Questions

What is the IUPAC name of ethyl carbamate?
The IUPAC name of ethyl carbamate (CID 21202847) is ethyl carbamate.
What is the SMILES notation for ethyl carbamate?
The canonical SMILES for ethyl carbamate is CCOC(N)=O.CCOC(N)=O.CCOC(N)=O.
What is the InChIKey of ethyl carbamate?
The InChIKey is PMWMAMZZNZDFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7NO2/c3*1-2-6-3(4)5/h3*2H2,1H3,(H2,4,5).
What are the key properties of ethyl carbamate?
ethyl carbamate has a molecular weight of 267.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate is sourced from PubChem (CID 21202847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).