benzyl N-(4H-pyran-3-yl)carbamate

C13H13NO3 — CID 141089932

IUPACbenzyl N-(4H-pyran-3-yl)carbamate
SMILESO=C(NC1=COC=CC1)OCc1ccccc1
InChIInChI=1S/C13H13NO3/c15-13(14-12-7-4-8-16-10-12)17-9-11-5-2-1-3-6-11/h1-6,8,10H,7,9H2,(H,14,15)
InChIKeyJCULYKKPISFGPJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.69
Rot. Bonds3

About benzyl N-(4H-pyran-3-yl)carbamate

benzyl N-(4H-pyran-3-yl)carbamate (PubChem CID 141089932) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is benzyl N-(4H-pyran-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4H-pyran-3-yl)carbamate
PubChem CID141089932
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namebenzyl N-(4H-pyran-3-yl)carbamate
SMILESO=C(NC1=COC=CC1)OCc1ccccc1
InChIInChI=1S/C13H13NO3/c15-13(14-12-7-4-8-16-10-12)17-9-11-5-2-1-3-6-11/h1-6,8,10H,7,9H2,(H,14,15)
InChIKeyJCULYKKPISFGPJ-UHFFFAOYSA-N
XLogP2.69
TPSA47.56 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-(4H-pyran-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-(2H-pyran-4-yl)carbamate
CID 19066311
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-chlorocarbamate
CID 2755304
(1S,6S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 7157276
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4H-pyran-3-yl)carbamate?
The IUPAC name of benzyl N-(4H-pyran-3-yl)carbamate (CID 141089932) is benzyl N-(4H-pyran-3-yl)carbamate.
What is the SMILES notation for benzyl N-(4H-pyran-3-yl)carbamate?
The canonical SMILES for benzyl N-(4H-pyran-3-yl)carbamate is O=C(NC1=COC=CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(4H-pyran-3-yl)carbamate?
The InChIKey is JCULYKKPISFGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13(14-12-7-4-8-16-10-12)17-9-11-5-2-1-3-6-11/h1-6,8,10H,7,9H2,(H,14,15).
What are the key properties of benzyl N-(4H-pyran-3-yl)carbamate?
benzyl N-(4H-pyran-3-yl)carbamate has a molecular weight of 231.25 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4H-pyran-3-yl)carbamate is sourced from PubChem (CID 141089932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).