phenyl N-(2-oxopropyl)carbamate

C10H11NO3 — CID 18713777

IUPACphenyl N-(2-oxopropyl)carbamate
SMILESCC(=O)CNC(=O)Oc1ccccc1
InChIInChI=1S/C10H11NO3/c1-8(12)7-11-10(13)14-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
InChIKeyHVJLCLCPTLDOOM-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.36
Rot. Bonds3

About phenyl N-(2-oxopropyl)carbamate

phenyl N-(2-oxopropyl)carbamate (PubChem CID 18713777) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is phenyl N-(2-oxopropyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-oxopropyl)carbamate
PubChem CID18713777
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namephenyl N-(2-oxopropyl)carbamate
SMILESCC(=O)CNC(=O)Oc1ccccc1
InChIInChI=1S/C10H11NO3/c1-8(12)7-11-10(13)14-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
InChIKeyHVJLCLCPTLDOOM-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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phenyl N-[2-(ethylamino)ethyl]carbamate
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phenyl N-(phenoxycarbonylamino)carbamate
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phenyl N-phenoxycarbonylcarbamate
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phenyl N-(2-phenylethyl)carbamate
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2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
CID 66167293
phenyl N-(3-methoxypropyl)carbamate
CID 60636020
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phenyl N-(2-methylsulfanylpropyl)carbamate
CID 115759417

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-oxopropyl)carbamate?
The IUPAC name of phenyl N-(2-oxopropyl)carbamate (CID 18713777) is phenyl N-(2-oxopropyl)carbamate.
What is the SMILES notation for phenyl N-(2-oxopropyl)carbamate?
The canonical SMILES for phenyl N-(2-oxopropyl)carbamate is CC(=O)CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(2-oxopropyl)carbamate?
The InChIKey is HVJLCLCPTLDOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-8(12)7-11-10(13)14-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13).
What are the key properties of phenyl N-(2-oxopropyl)carbamate?
phenyl N-(2-oxopropyl)carbamate has a molecular weight of 193.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-oxopropyl)carbamate is sourced from PubChem (CID 18713777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).