7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid

C18H20N2O3 — CID 23778466

IUPAC7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)N/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O3/c21-17(8-2-1-3-9-18(22)23)20-19-13-14-10-11-15-6-4-5-7-16(15)12-14/h4-7,10-13H,1-3,8-9H2,(H,20,21)(H,22,23)/b19-13+
InChIKeyLOUHYHSMXLAKMZ-CPNJWEJPSA-N
MW312.37 g/mol
LogP3.33
Rot. Bonds8

About 7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid

7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid (PubChem CID 23778466) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid.

Molecular Properties

Compound Name7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid
PubChem CID23778466
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)N/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C18H20N2O3/c21-17(8-2-1-3-9-18(22)23)20-19-13-14-10-11-15-6-4-5-7-16(15)12-14/h4-7,10-13H,1-3,8-9H2,(H,20,21)(H,22,23)/b19-13+
InChIKeyLOUHYHSMXLAKMZ-CPNJWEJPSA-N
XLogP3.33
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N,N'-bis(naphthalen-2-ylmethylideneamino)pentanediamide
CID 2250679
7-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 135777450
7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23749398
6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
CID 44621714
2-cyano-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 6048140
N-(2,5-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 3297103
8-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135757722
N-(2,4-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 4037663
7-[(2E)-2-[[4-(2-hydroxyethoxy)phenyl]methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23864469
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585

Frequently Asked Questions

What is the IUPAC name of 7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid?
The IUPAC name of 7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid (CID 23778466) is 7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid.
What is the SMILES notation for 7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid?
The canonical SMILES for 7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid is O=C(O)CCCCCC(=O)N/N=C/c1ccc2ccccc2c1.
What is the InChIKey of 7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid?
The InChIKey is LOUHYHSMXLAKMZ-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17(8-2-1-3-9-18(22)23)20-19-13-14-10-11-15-6-4-5-7-16(15)12-14/h4-7,10-13H,1-3,8-9H2,(H,20,21)(H,22,23)/b19-13+.
What are the key properties of 7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid?
7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid has a molecular weight of 312.37 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2E)-2-(naphthalen-2-ylmethylidene)hydrazinyl]-7-oxoheptanoic acid is sourced from PubChem (CID 23778466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).