anisole;2-oxoethyl carbamate

C10H13NO4 — CID 174834133

IUPACanisole;2-oxoethyl carbamate
SMILESCOc1ccccc1.NC(=O)OCC=O
InChIInChI=1S/C7H8O.C3H5NO3/c1-8-7-5-3-2-4-6-7;4-3(6)7-2-1-5/h2-6H,1H3;1H,2H2,(H2,4,6)
InChIKeyDTIRCXYKMUHWKG-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.98
Rot. Bonds3

About anisole;2-oxoethyl carbamate

anisole;2-oxoethyl carbamate (PubChem CID 174834133) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is anisole;2-oxoethyl carbamate.

Molecular Properties

Compound Nameanisole;2-oxoethyl carbamate
PubChem CID174834133
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Nameanisole;2-oxoethyl carbamate
SMILESCOc1ccccc1.NC(=O)OCC=O
InChIInChI=1S/C7H8O.C3H5NO3/c1-8-7-5-3-2-4-6-7;4-3(6)7-2-1-5/h2-6H,1H3;1H,2H2,(H2,4,6)
InChIKeyDTIRCXYKMUHWKG-UHFFFAOYSA-N
XLogP0.98
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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anisole;guanidine
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anisole;ethane;propan-2-one
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anisole;benzaldehyde;ethane;2-methoxyacetaldehyde;methoxymethane
CID 160882228
anisole;2-fluoroacetic acid
CID 160781746
anisole;butan-2-one
CID 67379528
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
anisole;trihydrofluoride
CID 174796385
methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate
CID 141015073
anisole;ethyl 2-methylpropanoate
CID 177064087
anisole;isocyanic acid
CID 175305824

Frequently Asked Questions

What is the IUPAC name of anisole;2-oxoethyl carbamate?
The IUPAC name of anisole;2-oxoethyl carbamate (CID 174834133) is anisole;2-oxoethyl carbamate.
What is the SMILES notation for anisole;2-oxoethyl carbamate?
The canonical SMILES for anisole;2-oxoethyl carbamate is COc1ccccc1.NC(=O)OCC=O.
What is the InChIKey of anisole;2-oxoethyl carbamate?
The InChIKey is DTIRCXYKMUHWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C3H5NO3/c1-8-7-5-3-2-4-6-7;4-3(6)7-2-1-5/h2-6H,1H3;1H,2H2,(H2,4,6).
What are the key properties of anisole;2-oxoethyl carbamate?
anisole;2-oxoethyl carbamate has a molecular weight of 211.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;2-oxoethyl carbamate is sourced from PubChem (CID 174834133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).