3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide

C16H20N4O2 — CID 166059452

IUPAC3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide
SMILESNNC(=O)CCc1ccc2cc(CCC(=O)NN)ccc2c1
InChIInChI=1S/C16H20N4O2/c17-19-15(21)7-3-11-1-5-13-10-12(2-6-14(13)9-11)4-8-16(22)20-18/h1-2,5-6,9-10H,3-4,7-8,17-18H2,(H,19,21)(H,20,22)
InChIKeyZJZSFAFRHQFZLR-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.68
Rot. Bonds6

About 3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide

3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide (PubChem CID 166059452) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide.

Molecular Properties

Compound Name3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide
PubChem CID166059452
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide
SMILESNNC(=O)CCc1ccc2cc(CCC(=O)NN)ccc2c1
InChIInChI=1S/C16H20N4O2/c17-19-15(21)7-3-11-1-5-13-10-12(2-6-14(13)9-11)4-8-16(22)20-18/h1-2,5-6,9-10H,3-4,7-8,17-18H2,(H,19,21)(H,20,22)
InChIKeyZJZSFAFRHQFZLR-UHFFFAOYSA-N
XLogP0.68
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydroxyphenyl)propanehydrazide
CID 3746537
4-(6-methylnaphthalen-2-yl)butanehydrazide
CID 116843668
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
3-[4-(2-methylpropoxy)phenyl]propanehydrazide
CID 164513636
N'-methyl-3-(6-methylnaphthalen-2-yl)propanehydrazide
CID 116846437
N',N'-dimethyl-3-(6-methylnaphthalen-2-yl)propanehydrazide
CID 116847656
3-(4-cyclopentyloxyphenyl)propanehydrazide
CID 164513639
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
5-(3,4-difluorophenyl)pentanehydrazide
CID 116843725
N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
CID 119571535
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
1-(3-naphthalen-2-ylpropanoylamino)cyclohexane-1-carboxamide
CID 170732644

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide?
The IUPAC name of 3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide (CID 166059452) is 3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide.
What is the SMILES notation for 3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide?
The canonical SMILES for 3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide is NNC(=O)CCc1ccc2cc(CCC(=O)NN)ccc2c1.
What is the InChIKey of 3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide?
The InChIKey is ZJZSFAFRHQFZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-19-15(21)7-3-11-1-5-13-10-12(2-6-14(13)9-11)4-8-16(22)20-18/h1-2,5-6,9-10H,3-4,7-8,17-18H2,(H,19,21)(H,20,22).
What are the key properties of 3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide?
3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide has a molecular weight of 300.36 g/mol, XLogP of 0.68, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide is sourced from PubChem (CID 166059452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).