N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide

C13H12N2O3 — CID 136504220

IUPACN-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide
SMILESCC(=O)/N=N/c1cc(C)c(O)c2cccc(O)c12
InChIInChI=1S/C13H12N2O3/c1-7-6-10(15-14-8(2)16)12-9(13(7)18)4-3-5-11(12)17/h3-6,17-18H,1-2H3/b15-14+
InChIKeyLPUPKINVZUQGLB-CCEZHUSRSA-N
MW244.25 g/mol
LogP3.19
Rot. Bonds1

About N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide

N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide (PubChem CID 136504220) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide.

Molecular Properties

Compound NameN-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide
PubChem CID136504220
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide
SMILESCC(=O)/N=N/c1cc(C)c(O)c2cccc(O)c12
InChIInChI=1S/C13H12N2O3/c1-7-6-10(15-14-8(2)16)12-9(13(7)18)4-3-5-11(12)17/h3-6,17-18H,1-2H3/b15-14+
InChIKeyLPUPKINVZUQGLB-CCEZHUSRSA-N
XLogP3.19
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-Amino-4-naphthol
CID 17815
Vitamin K5
CID 6754
4-Amino-1-naphthol hydrochloride
CID 2723858
9,10-Anthracenediol, 1,4-diamino-
CID 21402
1-Naphthalenol, 4-(phenylazo)-
CID 77214
1-Naphthalenol, 4-(1-naphthalenylazo)-
CID 75860
Vitamin K5 hydrochloride
CID 67225
Hydrazinecarbothioamide, 2-(2-methyl-4-oxo-1(4H)-naphthalenylidene)-
CID 3000675
8-Aminonaphthol
CID 94906
4-Amino-3-methyl-1-naphthalenol
CID 66524
2-hydroxy-N'-[(1E)-3-methyl-4-oxonaphthalen-1(4H)-ylidene]benzohydrazide
CID 3910376
[3-[(4-Hydroxynaphthalen-1-yl)diazenyl]phenyl]boronic acid
CID 136053666

Frequently Asked Questions

What is the IUPAC name of N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide?
The IUPAC name of N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide (CID 136504220) is N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide.
What is the SMILES notation for N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide?
The canonical SMILES for N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide is CC(=O)/N=N/c1cc(C)c(O)c2cccc(O)c12.
What is the InChIKey of N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide?
The InChIKey is LPUPKINVZUQGLB-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-7-6-10(15-14-8(2)16)12-9(13(7)18)4-3-5-11(12)17/h3-6,17-18H,1-2H3/b15-14+.
What are the key properties of N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide?
N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide has a molecular weight of 244.25 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,8-dihydroxy-3-methylnaphthalen-1-yl)iminoacetamide is sourced from PubChem (CID 136504220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).