[(Z)-naphthalen-1-ylmethylideneamino] acetate

C13H11NO2 — CID 100995870

IUPAC[(Z)-naphthalen-1-ylmethylideneamino] acetate
SMILESCC(=O)O/N=C\c1cccc2ccccc12
InChIInChI=1S/C13H11NO2/c1-10(15)16-14-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-9H,1H3/b14-9-
InChIKeyKYJZHLQYTCQBBO-ZROIWOOFSA-N
MW213.24 g/mol
LogP2.74
Rot. Bonds2

About [(Z)-naphthalen-1-ylmethylideneamino] acetate

[(Z)-naphthalen-1-ylmethylideneamino] acetate (PubChem CID 100995870) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is [(Z)-naphthalen-1-ylmethylideneamino] acetate.

Molecular Properties

Compound Name[(Z)-naphthalen-1-ylmethylideneamino] acetate
PubChem CID100995870
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name[(Z)-naphthalen-1-ylmethylideneamino] acetate
SMILESCC(=O)O/N=C\c1cccc2ccccc12
InChIInChI=1S/C13H11NO2/c1-10(15)16-14-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-9H,1H3/b14-9-
InChIKeyKYJZHLQYTCQBBO-ZROIWOOFSA-N
XLogP2.74
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-naphthalen-1-ylmethylideneamino] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-naphthalen-1-ylmethylideneamino] acetate?
The IUPAC name of [(Z)-naphthalen-1-ylmethylideneamino] acetate (CID 100995870) is [(Z)-naphthalen-1-ylmethylideneamino] acetate.
What is the SMILES notation for [(Z)-naphthalen-1-ylmethylideneamino] acetate?
The canonical SMILES for [(Z)-naphthalen-1-ylmethylideneamino] acetate is CC(=O)O/N=C\c1cccc2ccccc12.
What is the InChIKey of [(Z)-naphthalen-1-ylmethylideneamino] acetate?
The InChIKey is KYJZHLQYTCQBBO-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H11NO2/c1-10(15)16-14-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-9H,1H3/b14-9-.
What are the key properties of [(Z)-naphthalen-1-ylmethylideneamino] acetate?
[(Z)-naphthalen-1-ylmethylideneamino] acetate has a molecular weight of 213.24 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-naphthalen-1-ylmethylideneamino] acetate is sourced from PubChem (CID 100995870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).