6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol

C15H15NO — CID 123817249

IUPAC6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol
SMILESC=C(C)/C(C)=N/c1ccc2cc(O)ccc2c1
InChIInChI=1S/C15H15NO/c1-10(2)11(3)16-14-6-4-13-9-15(17)7-5-12(13)8-14/h4-9,17H,1H2,2-3H3/b16-11+
InChIKeyKSWMNUPETDQAJP-LFIBNONCSA-N
MW225.29 g/mol
LogP4.21
Rot. Bonds2

About 6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol

6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol (PubChem CID 123817249) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol.

Molecular Properties

Compound Name6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol
PubChem CID123817249
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol
SMILESC=C(C)/C(C)=N/c1ccc2cc(O)ccc2c1
InChIInChI=1S/C15H15NO/c1-10(2)11(3)16-14-6-4-13-9-15(17)7-5-12(13)8-14/h4-9,17H,1H2,2-3H3/b16-11+
InChIKeyKSWMNUPETDQAJP-LFIBNONCSA-N
XLogP4.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

8-Amino-2-naphthalenol
CID 8358
7-Amino-2-naphthalenol
CID 66732
5-Amino-2-naphthol
CID 6865
7-Amino-1-naphthol
CID 40116
6-Aminonaphthol
CID 90295
1-(Anilinomethylidene)-2-naphthalenone
CID 269969
3-Amino-2-naphthol
CID 79449
1-{(E)-[(4-vinylphenyl)imino]methyl}-2-naphthol
CID 4445693
6-Amino-2-naphthalenol
CID 428605
1-(O-Tolyliminomethyl)-2-naphthol
CID 548604
4-(Naphthalen-1-yliminomethyl)-phenol
CID 619022
1-{[(3-Fluoro-4-methylphenyl)imino]methyl}-2-naphthol
CID 707761

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol?
The IUPAC name of 6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol (CID 123817249) is 6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol.
What is the SMILES notation for 6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol?
The canonical SMILES for 6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol is C=C(C)/C(C)=N/c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol?
The InChIKey is KSWMNUPETDQAJP-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15NO/c1-10(2)11(3)16-14-6-4-13-9-15(17)7-5-12(13)8-14/h4-9,17H,1H2,2-3H3/b16-11+.
What are the key properties of 6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol?
6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol has a molecular weight of 225.29 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbut-3-en-2-ylideneamino)naphthalen-2-ol is sourced from PubChem (CID 123817249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).