4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile

C19H13N3O — CID 171904866

IUPAC4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile
SMILESN#Cc1ccc(NNC2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C19H13N3O/c20-11-12-7-9-14(10-8-12)21-22-18-15-5-1-3-13-4-2-6-16(17(13)15)19(18)23/h1-10,18,21-22H
InChIKeyURRFCQFPKIOVFO-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.57
Rot. Bonds3

About 4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile

4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile (PubChem CID 171904866) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile
PubChem CID171904866
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile
SMILESN#Cc1ccc(NNC2C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C19H13N3O/c20-11-12-7-9-14(10-8-12)21-22-18-15-5-1-3-13-4-2-6-16(17(13)15)19(18)23/h1-10,18,21-22H
InChIKeyURRFCQFPKIOVFO-UHFFFAOYSA-N
XLogP3.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-2H-acenaphthylen-1-one
CID 603051
2-(2,6-dibenzhydryl-3,4,5-trimethoxyanilino)-2H-acenaphthylen-1-one
CID 171061375
N-(4-cyanophenyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
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4-[4-[8-(4-methylphenyl)naphthalen-1-yl]phenyl]benzonitrile
CID 155443203
N-(4-cyanophenyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677837
3-[2-(4-cyanophenyl)hydrazinyl]-3-oxopropanoic acid
CID 69448278
N-(4-cyanoanilino)nitramide
CID 67895972
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-(2-pyren-1-ylethynyl)benzonitrile
CID 53231628
N-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909
4-[(2-cyclopropylphenyl)methylamino]benzonitrile
CID 79979257

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile?
The IUPAC name of 4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile (CID 171904866) is 4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile.
What is the SMILES notation for 4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile?
The canonical SMILES for 4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile is N#Cc1ccc(NNC2C(=O)c3cccc4cccc2c34)cc1.
What is the InChIKey of 4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile?
The InChIKey is URRFCQFPKIOVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c20-11-12-7-9-14(10-8-12)21-22-18-15-5-1-3-13-4-2-6-16(17(13)15)19(18)23/h1-10,18,21-22H.
What are the key properties of 4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile?
4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile has a molecular weight of 299.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile is sourced from PubChem (CID 171904866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).