phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate

C13H17NO3 — CID 62521229

IUPACphenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
SMILESO=C(NC1(CO)CCCC1)Oc1ccccc1
InChIInChI=1S/C13H17NO3/c15-10-13(8-4-5-9-13)14-12(16)17-11-6-2-1-3-7-11/h1-3,6-7,15H,4-5,8-10H2,(H,14,16)
InChIKeyPKDFVEYNMXAQKG-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.08
Rot. Bonds3

About phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate

phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate (PubChem CID 62521229) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
PubChem CID62521229
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namephenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
SMILESO=C(NC1(CO)CCCC1)Oc1ccccc1
InChIInChI=1S/C13H17NO3/c15-10-13(8-4-5-9-13)14-12(16)17-11-6-2-1-3-7-11/h1-3,6-7,15H,4-5,8-10H2,(H,14,16)
InChIKeyPKDFVEYNMXAQKG-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate?
The IUPAC name of phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate (CID 62521229) is phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate.
What is the SMILES notation for phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate?
The canonical SMILES for phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate is O=C(NC1(CO)CCCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate?
The InChIKey is PKDFVEYNMXAQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-10-13(8-4-5-9-13)14-12(16)17-11-6-2-1-3-7-11/h1-3,6-7,15H,4-5,8-10H2,(H,14,16).
What are the key properties of phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate?
phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate has a molecular weight of 235.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate is sourced from PubChem (CID 62521229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).