2-(naphthalen-2-ylamino)acetyl cyanide

C13H10N2O — CID 100819015

IUPAC2-(naphthalen-2-ylamino)acetyl cyanide
SMILESN#CC(=O)CNc1ccc2ccccc2c1
InChIInChI=1S/C13H10N2O/c14-8-13(16)9-15-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,15H,9H2
InChIKeyZDZVQHDNTZLVFJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.34
Rot. Bonds3

About 2-(naphthalen-2-ylamino)acetyl cyanide

2-(naphthalen-2-ylamino)acetyl cyanide (PubChem CID 100819015) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-(naphthalen-2-ylamino)acetyl cyanide.

Molecular Properties

Compound Name2-(naphthalen-2-ylamino)acetyl cyanide
PubChem CID100819015
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-(naphthalen-2-ylamino)acetyl cyanide
SMILESN#CC(=O)CNc1ccc2ccccc2c1
InChIInChI=1S/C13H10N2O/c14-8-13(16)9-15-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,15H,9H2
InChIKeyZDZVQHDNTZLVFJ-UHFFFAOYSA-N
XLogP2.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

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Related Compounds

2-(naphthalen-2-ylamino)acetonitrile
CID 43420244
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
N-methyl-2-(naphthalen-2-ylamino)-N-phenylacetamide
CID 26417147
N-cyclopropyl-N-methyl-2-(naphthalen-2-ylamino)acetamide
CID 61488971
2-(naphthalen-2-ylamino)-N-propylacetamide
CID 43400801
N-(4-fluorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082682
2-(naphthalen-2-ylamino)-1-(4-nitrophenyl)ethanone
CID 21230995
1-(3,4-dihydroxyphenyl)-2-(naphthalen-2-ylamino)ethanone
CID 19824345
N-(2,3-dichloroprop-2-enyl)naphthalen-2-amine
CID 79168498
2-(naphthalen-2-ylamino)-N-(2-phenylethyl)acetamide
CID 26417168
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694
2-(naphthalen-2-ylamino)-N-(2-propan-2-ylphenyl)acetamide
CID 26506452

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylamino)acetyl cyanide?
The IUPAC name of 2-(naphthalen-2-ylamino)acetyl cyanide (CID 100819015) is 2-(naphthalen-2-ylamino)acetyl cyanide.
What is the SMILES notation for 2-(naphthalen-2-ylamino)acetyl cyanide?
The canonical SMILES for 2-(naphthalen-2-ylamino)acetyl cyanide is N#CC(=O)CNc1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylamino)acetyl cyanide?
The InChIKey is ZDZVQHDNTZLVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-8-13(16)9-15-12-6-5-10-3-1-2-4-11(10)7-12/h1-7,15H,9H2.
What are the key properties of 2-(naphthalen-2-ylamino)acetyl cyanide?
2-(naphthalen-2-ylamino)acetyl cyanide has a molecular weight of 210.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylamino)acetyl cyanide is sourced from PubChem (CID 100819015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).