ethyl carbamate;oxotitanium

C3H7NO3Ti — CID 174887508

IUPACethyl carbamate;oxotitanium
SMILESCCOC(N)=O.O=[Ti]
InChIInChI=1S/C3H7NO2.O.Ti/c1-2-6-3(4)5;;/h2H2,1H3,(H2,4,5);;
InChIKeyGBXSYARWEOWUTA-UHFFFAOYSA-N
MW152.96 g/mol
LogP-0.02
Rot. Bonds1

About ethyl carbamate;oxotitanium

ethyl carbamate;oxotitanium (PubChem CID 174887508) has the molecular formula C3H7NO3Ti and a molecular weight of 152.96 g/mol. Its IUPAC name is ethyl carbamate;oxotitanium.

Molecular Properties

Compound Nameethyl carbamate;oxotitanium
PubChem CID174887508
Molecular FormulaC3H7NO3Ti
Molecular Weight152.96 g/mol
Exact Mass152.99
IUPAC Nameethyl carbamate;oxotitanium
SMILESCCOC(N)=O.O=[Ti]
InChIInChI=1S/C3H7NO2.O.Ti/c1-2-6-3(4)5;;/h2H2,1H3,(H2,4,5);;
InChIKeyGBXSYARWEOWUTA-UHFFFAOYSA-N
XLogP-0.02
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.96
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;oxotitanium?
The IUPAC name of ethyl carbamate;oxotitanium (CID 174887508) is ethyl carbamate;oxotitanium.
What is the SMILES notation for ethyl carbamate;oxotitanium?
The canonical SMILES for ethyl carbamate;oxotitanium is CCOC(N)=O.O=[Ti].
What is the InChIKey of ethyl carbamate;oxotitanium?
The InChIKey is GBXSYARWEOWUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.O.Ti/c1-2-6-3(4)5;;/h2H2,1H3,(H2,4,5);;.
What are the key properties of ethyl carbamate;oxotitanium?
ethyl carbamate;oxotitanium has a molecular weight of 152.96 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;oxotitanium is sourced from PubChem (CID 174887508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).