benzyl N-(2H-pyran-4-yl)carbamate

C13H13NO3 — CID 19066311

IUPACbenzyl N-(2H-pyran-4-yl)carbamate
SMILESO=C(NC1=CCOC=C1)OCc1ccccc1
InChIInChI=1S/C13H13NO3/c15-13(14-12-6-8-16-9-7-12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,14,15)
InChIKeyGDNMMEWYEWJORN-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.34
Rot. Bonds3

About benzyl N-(2H-pyran-4-yl)carbamate

benzyl N-(2H-pyran-4-yl)carbamate (PubChem CID 19066311) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is benzyl N-(2H-pyran-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2H-pyran-4-yl)carbamate
PubChem CID19066311
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namebenzyl N-(2H-pyran-4-yl)carbamate
SMILESO=C(NC1=CCOC=C1)OCc1ccccc1
InChIInChI=1S/C13H13NO3/c15-13(14-12-6-8-16-9-7-12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,14,15)
InChIKeyGDNMMEWYEWJORN-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(4H-pyran-3-yl)carbamate
CID 141089932
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548
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
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 130581119

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2H-pyran-4-yl)carbamate?
The IUPAC name of benzyl N-(2H-pyran-4-yl)carbamate (CID 19066311) is benzyl N-(2H-pyran-4-yl)carbamate.
What is the SMILES notation for benzyl N-(2H-pyran-4-yl)carbamate?
The canonical SMILES for benzyl N-(2H-pyran-4-yl)carbamate is O=C(NC1=CCOC=C1)OCc1ccccc1.
What is the InChIKey of benzyl N-(2H-pyran-4-yl)carbamate?
The InChIKey is GDNMMEWYEWJORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13(14-12-6-8-16-9-7-12)17-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,14,15).
What are the key properties of benzyl N-(2H-pyran-4-yl)carbamate?
benzyl N-(2H-pyran-4-yl)carbamate has a molecular weight of 231.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2H-pyran-4-yl)carbamate is sourced from PubChem (CID 19066311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).