1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol

C12H12N2O — CID 135676008

IUPAC1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol
SMILESCN/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C12H12N2O/c1-13-14-8-11-10-5-3-2-4-9(10)6-7-12(11)15/h2-8,13,15H,1H3/b14-8+
InChIKeyZFXYFXFCVOGMJE-RIYZIHGNSA-N
MW200.24 g/mol
LogP2.10
Rot. Bonds2

About 1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol

1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol (PubChem CID 135676008) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol
PubChem CID135676008
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol
SMILESCN/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C12H12N2O/c1-13-14-8-11-10-5-3-2-4-9(10)6-7-12(11)15/h2-8,13,15H,1H3/b14-8+
InChIKeyZFXYFXFCVOGMJE-RIYZIHGNSA-N
XLogP2.10
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-1-naphthaldehyde thiosemicarbazone
CID 135400403
1-Naphthalenecarboxaldehyde, 2-hydroxy-, [(2-hydroxy-1-naphthalenyl)methylene]hydrazone
CID 135444602
2-allyl-3-[[(Z)-(2-keto-1-naphthylidene)methyl]amino]isothiourea
CID 135650615
2-Hydroxy-1-naphthaldehyde N-ethylthiosemicarbazone
CID 135493221
2-Hydroxy-1-naphthaldehyde oxime
CID 135400485
(E)-2-((2-Hydroxynaphthalen-1-yl)methylene)-N,N-dimethylhydrazine-1-carbothioamide
CID 135482104
N-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]formamide
CID 135676247
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide
CID 251900
1-[(4-Methylthiosemicarbazono)methyl]-2-naphthol
CID 135506505
1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-methylthiourea
CID 135546592
1-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-prop-2-enylthiourea
CID 135615739
1-{[(3-mercapto-5-methyl-4H-1,2,4-triazol-4-yl)imino]methyl}-2-naphthol
CID 135490168

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol (CID 135676008) is 1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol is CN/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol?
The InChIKey is ZFXYFXFCVOGMJE-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H12N2O/c1-13-14-8-11-10-5-3-2-4-9(10)6-7-12(11)15/h2-8,13,15H,1H3/b14-8+.
What are the key properties of 1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol?
1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol has a molecular weight of 200.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(methylhydrazinylidene)methyl]naphthalen-2-ol is sourced from PubChem (CID 135676008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).