molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate

C12H17NO3 — CID 143703074

IUPACmolecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1CCCO1.[H][H]
InChIInChI=1S/C12H15NO3.H2/c14-12(13-10-5-2-1-3-6-10)16-9-11-7-4-8-15-11;/h1-3,5-6,11H,4,7-9H2,(H,13,14);1H
InChIKeyXXAUQEFXFXIPPS-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.66
Rot. Bonds3

About molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate

molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate (PubChem CID 143703074) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate.

Molecular Properties

Compound Namemolecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
PubChem CID143703074
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemolecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1CCCO1.[H][H]
InChIInChI=1S/C12H15NO3.H2/c14-12(13-10-5-2-1-3-6-10)16-9-11-7-4-8-15-11;/h1-3,5-6,11H,4,7-9H2,(H,13,14);1H
InChIKeyXXAUQEFXFXIPPS-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-oxolan-2-yl]methyl N-(4-nitrophenyl)carbamate
CID 7126263
[(2S)-oxolan-2-yl]methyl (1R,6R)-6-(phenylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 727111
oxan-2-ylmethyl N-[4-(aminomethyl)phenyl]carbamate
CID 43309341
[(2S)-oxolan-2-yl]methyl N-[2-methyl-5-[[(2S)-oxolan-2-yl]methoxycarbonylamino]phenyl]carbamate
CID 27077124
2-hydroxy-6-(oxolan-2-ylmethoxycarbonylamino)benzoic acid
CID 19000939
[(2R)-oxolan-2-yl]methyl N-(2-phenylsulfanylethyl)carbamate
CID 100762774
oxolan-2-ylmethyl N-(2-phenylsulfanylethyl)carbamate
CID 119038406
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
2,2,2-trifluoroethyl N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamate
CID 94796306
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
[(2R)-oxolan-2-yl]methyl 2-benzamidobenzoate
CID 40820524
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate?
The IUPAC name of molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate (CID 143703074) is molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate.
What is the SMILES notation for molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate?
The canonical SMILES for molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCC1CCCO1.[H][H].
What is the InChIKey of molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate?
The InChIKey is XXAUQEFXFXIPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3.H2/c14-12(13-10-5-2-1-3-6-10)16-9-11-7-4-8-15-11;/h1-3,5-6,11H,4,7-9H2,(H,13,14);1H.
What are the key properties of molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate?
molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate has a molecular weight of 223.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate is sourced from PubChem (CID 143703074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).