acenaphthylene-3-carboxamide

C13H9NO — CID 148788152

IUPACacenaphthylene-3-carboxamide
SMILESNC(=O)c1ccc2cccc3c2c1C=C3
InChIInChI=1S/C13H9NO/c14-13(15)11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-7H,(H2,14,15)
InChIKeyOLQCYWWYMULPMX-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.42
Rot. Bonds1

About acenaphthylene-3-carboxamide

acenaphthylene-3-carboxamide (PubChem CID 148788152) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is acenaphthylene-3-carboxamide.

Molecular Properties

Compound Nameacenaphthylene-3-carboxamide
PubChem CID148788152
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Nameacenaphthylene-3-carboxamide
SMILESNC(=O)c1ccc2cccc3c2c1C=C3
InChIInChI=1S/C13H9NO/c14-13(15)11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-7H,(H2,14,15)
InChIKeyOLQCYWWYMULPMX-UHFFFAOYSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acenaphthylene-3-carboxamide?
The IUPAC name of acenaphthylene-3-carboxamide (CID 148788152) is acenaphthylene-3-carboxamide.
What is the SMILES notation for acenaphthylene-3-carboxamide?
The canonical SMILES for acenaphthylene-3-carboxamide is NC(=O)c1ccc2cccc3c2c1C=C3.
What is the InChIKey of acenaphthylene-3-carboxamide?
The InChIKey is OLQCYWWYMULPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c14-13(15)11-7-5-9-3-1-2-8-4-6-10(11)12(8)9/h1-7H,(H2,14,15).
What are the key properties of acenaphthylene-3-carboxamide?
acenaphthylene-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthylene-3-carboxamide is sourced from PubChem (CID 148788152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).