N-oxo-5,6-dihydronaphthalene-1-carboxamide

C11H9NO2 — CID 89159076

IUPACN-oxo-5,6-dihydronaphthalene-1-carboxamide
SMILESO=NC(=O)c1cccc2c1C=CCC2
InChIInChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h2-3,5-7H,1,4H2
InChIKeyKGIKCFRMHGUWKZ-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.55
Rot. Bonds1

About N-oxo-5,6-dihydronaphthalene-1-carboxamide

N-oxo-5,6-dihydronaphthalene-1-carboxamide (PubChem CID 89159076) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is N-oxo-5,6-dihydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-oxo-5,6-dihydronaphthalene-1-carboxamide
PubChem CID89159076
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC NameN-oxo-5,6-dihydronaphthalene-1-carboxamide
SMILESO=NC(=O)c1cccc2c1C=CCC2
InChIInChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h2-3,5-7H,1,4H2
InChIKeyKGIKCFRMHGUWKZ-UHFFFAOYSA-N
XLogP2.55
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-oxo-5,6-dihydronaphthalene-1-carboxamide?
The IUPAC name of N-oxo-5,6-dihydronaphthalene-1-carboxamide (CID 89159076) is N-oxo-5,6-dihydronaphthalene-1-carboxamide.
What is the SMILES notation for N-oxo-5,6-dihydronaphthalene-1-carboxamide?
The canonical SMILES for N-oxo-5,6-dihydronaphthalene-1-carboxamide is O=NC(=O)c1cccc2c1C=CCC2.
What is the InChIKey of N-oxo-5,6-dihydronaphthalene-1-carboxamide?
The InChIKey is KGIKCFRMHGUWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h2-3,5-7H,1,4H2.
What are the key properties of N-oxo-5,6-dihydronaphthalene-1-carboxamide?
N-oxo-5,6-dihydronaphthalene-1-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-5,6-dihydronaphthalene-1-carboxamide is sourced from PubChem (CID 89159076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).