N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide

C13H13NO3 — CID 20558747

IUPACN-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide
SMILESO=C1C=C(C(=O)NCCO)c2ccccc2C1
InChIInChI=1S/C13H13NO3/c15-6-5-14-13(17)12-8-10(16)7-9-3-1-2-4-11(9)12/h1-4,8,15H,5-7H2,(H,14,17)
InChIKeyNOSQELKRUICFSH-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.30
Rot. Bonds3

About N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide

N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide (PubChem CID 20558747) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide
PubChem CID20558747
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC NameN-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide
SMILESO=C1C=C(C(=O)NCCO)c2ccccc2C1
InChIInChI=1S/C13H13NO3/c15-6-5-14-13(17)12-8-10(16)7-9-3-1-2-4-11(9)12/h1-4,8,15H,5-7H2,(H,14,17)
InChIKeyNOSQELKRUICFSH-UHFFFAOYSA-N
XLogP0.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide (CID 20558747) is N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide is O=C1C=C(C(=O)NCCO)c2ccccc2C1.
What is the InChIKey of N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide?
The InChIKey is NOSQELKRUICFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-6-5-14-13(17)12-8-10(16)7-9-3-1-2-4-11(9)12/h1-4,8,15H,5-7H2,(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide?
N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide is sourced from PubChem (CID 20558747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).