N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

C13H15NO3 — CID 84595203

IUPACN-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1cccc(CO)c1)C1=CCCCO1
InChIInChI=1S/C13H15NO3/c15-9-10-4-3-5-11(8-10)14-13(16)12-6-1-2-7-17-12/h3-6,8,15H,1-2,7,9H2,(H,14,16)
InChIKeyQCJNPJYHNJHFRF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.81
Rot. Bonds3

About N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 84595203) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID84595203
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1cccc(CO)c1)C1=CCCCO1
InChIInChI=1S/C13H15NO3/c15-9-10-4-3-5-11(8-10)14-13(16)12-6-1-2-7-17-12/h3-6,8,15H,1-2,7,9H2,(H,14,16)
InChIKeyQCJNPJYHNJHFRF-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 84595203) is N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1cccc(CO)c1)C1=CCCCO1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is QCJNPJYHNJHFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-9-10-4-3-5-11(8-10)14-13(16)12-6-1-2-7-17-12/h3-6,8,15H,1-2,7,9H2,(H,14,16).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 84595203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).