benzyl N-(3-oxocyclopentyl)carbamate

C13H15NO3 — CID 53419226

IUPACbenzyl N-(3-oxocyclopentyl)carbamate
SMILESO=C1CCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H15NO3/c15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16)
InChIKeyKCMRCKOQBAJKAG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.03
Rot. Bonds3

About benzyl N-(3-oxocyclopentyl)carbamate

benzyl N-(3-oxocyclopentyl)carbamate (PubChem CID 53419226) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is benzyl N-(3-oxocyclopentyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-oxocyclopentyl)carbamate
PubChem CID53419226
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namebenzyl N-(3-oxocyclopentyl)carbamate
SMILESO=C1CCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H15NO3/c15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16)
InChIKeyKCMRCKOQBAJKAG-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-oxocyclopentyl)carbamate?
The IUPAC name of benzyl N-(3-oxocyclopentyl)carbamate (CID 53419226) is benzyl N-(3-oxocyclopentyl)carbamate.
What is the SMILES notation for benzyl N-(3-oxocyclopentyl)carbamate?
The canonical SMILES for benzyl N-(3-oxocyclopentyl)carbamate is O=C1CCC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-(3-oxocyclopentyl)carbamate?
The InChIKey is KCMRCKOQBAJKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12-7-6-11(8-12)14-13(16)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16).
What are the key properties of benzyl N-(3-oxocyclopentyl)carbamate?
benzyl N-(3-oxocyclopentyl)carbamate has a molecular weight of 233.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-oxocyclopentyl)carbamate is sourced from PubChem (CID 53419226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).