phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate

C13H13NO3 — CID 126499932

IUPACphenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate
SMILESO=C1C=CC(CNC(=O)Oc2ccccc2)C1
InChIInChI=1S/C13H13NO3/c15-11-7-6-10(8-11)9-14-13(16)17-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,14,16)
InChIKeyKFNPXJHREVYPEJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.92
Rot. Bonds3

About phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate

phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate (PubChem CID 126499932) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate
PubChem CID126499932
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namephenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate
SMILESO=C1C=CC(CNC(=O)Oc2ccccc2)C1
InChIInChI=1S/C13H13NO3/c15-11-7-6-10(8-11)9-14-13(16)17-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,14,16)
InChIKeyKFNPXJHREVYPEJ-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate?
The IUPAC name of phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate (CID 126499932) is phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate?
The canonical SMILES for phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate is O=C1C=CC(CNC(=O)Oc2ccccc2)C1.
What is the InChIKey of phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate?
The InChIKey is KFNPXJHREVYPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-11-7-6-10(8-11)9-14-13(16)17-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,14,16).
What are the key properties of phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate?
phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate has a molecular weight of 231.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(4-oxocyclopent-2-en-1-yl)methyl]carbamate is sourced from PubChem (CID 126499932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).