2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile

C14H9N3O — CID 168541805

IUPAC2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccc(O)c2ccccc12
InChIInChI=1S/C14H9N3O/c15-7-10(8-16)9-17-13-5-6-14(18)12-4-2-1-3-11(12)13/h1-6,9,17-18H
InChIKeySUXCGNXFMUZIME-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.89
Rot. Bonds2

About 2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile

2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile (PubChem CID 168541805) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile
PubChem CID168541805
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile
SMILESN#CC(C#N)=CNc1ccc(O)c2ccccc12
InChIInChI=1S/C14H9N3O/c15-7-10(8-16)9-17-13-5-6-14(18)12-4-2-1-3-11(12)13/h1-6,9,17-18H
InChIKeySUXCGNXFMUZIME-UHFFFAOYSA-N
XLogP2.89
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(4-propylnaphthalen-1-yl)amino]methylidene]propanedinitrile
CID 168543712
2-[(1,2-dihydroacenaphthylen-5-ylamino)methylidene]propanedinitrile
CID 47130083
2-[[(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)amino]methylidene]propanedinitrile
CID 168544190
2-[(pyren-1-ylamino)methylidene]propanedinitrile
CID 101403692
2-[(2-bromoanilino)methylidene]propanedinitrile
CID 17134938
2-[(5-fluoro-2-hydroxyanilino)methylidene]propanedinitrile
CID 168541263
(Z)-N-benzyl-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]prop-2-enamide
CID 108842160
2-[(2-ethenylanilino)methylidene]propanedinitrile
CID 168542247
4-(2,2-dicyanoethenylamino)-3-hydroxybenzoic acid
CID 168545336
2-[(3-methyl-2-phenoxyanilino)methylidene]propanedinitrile
CID 168543654
2-[[(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]prop-2-enoyl]amino]acetic acid
CID 108843993
2-[[2-(1-hydroxyethyl)anilino]methylidene]propanedinitrile
CID 168541764

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile?
The IUPAC name of 2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile (CID 168541805) is 2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile?
The canonical SMILES for 2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile is N#CC(C#N)=CNc1ccc(O)c2ccccc12.
What is the InChIKey of 2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile?
The InChIKey is SUXCGNXFMUZIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c15-7-10(8-16)9-17-13-5-6-14(18)12-4-2-1-3-11(12)13/h1-6,9,17-18H.
What are the key properties of 2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile?
2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile has a molecular weight of 235.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxynaphthalen-1-yl)amino]methylidene]propanedinitrile is sourced from PubChem (CID 168541805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).