[(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate

C15H17NO2 — CID 172916456

IUPAC[(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate
SMILESCC(=O)O/N=C(/C)C1=CC=C[C@]2(C)CC=CC=C12
InChIInChI=1S/C15H17NO2/c1-11(16-18-12(2)17)13-7-6-10-15(3)9-5-4-8-14(13)15/h4-8,10H,9H2,1-3H3/b16-11-/t15-/m0/s1
InChIKeyJAIXDMKYDYZAIJ-CNYBTUBUSA-N
MW243.31 g/mol
LogP3.31
Rot. Bonds2

About [(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate

[(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate (PubChem CID 172916456) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is [(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate.

Molecular Properties

Compound Name[(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate
PubChem CID172916456
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name[(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate
SMILESCC(=O)O/N=C(/C)C1=CC=C[C@]2(C)CC=CC=C12
InChIInChI=1S/C15H17NO2/c1-11(16-18-12(2)17)13-7-6-10-15(3)9-5-4-8-14(13)15/h4-8,10H,9H2,1-3H3/b16-11-/t15-/m0/s1
InChIKeyJAIXDMKYDYZAIJ-CNYBTUBUSA-N
XLogP3.31
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.31
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)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate with MolForge

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

Launch Full Analysis

Related Compounds

[(E)-1-phenylethylideneamino] acetate
CID 5392489
(1-pyridin-4-ylethylideneamino) acetate
CID 585758
1-[(4a-methyl-5H-naphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 163892374
[(Z)-1-(2-methylphenyl)ethylideneamino] acetate
CID 118122967
1-methoxy-2-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70161917
(1-naphthalen-2-ylethylideneamino) acetate
CID 54130886
methyl 1-methoxy-2-(4-methylphenyl)cyclohexa-2,4-diene-1-carboxylate
CID 67884390
(3-acetyloxyiminopropylideneamino) acetate
CID 123232154
[[amino-[1-(aminomethyl)cyclohexyl]methylidene]amino] acetate
CID 173313757
[(E)-1-(3,4-dichlorophenyl)ethylideneamino] acetate
CID 138968191
[(E)-1-(1-benzofuran-2-yl)ethylideneamino] acetate
CID 53467236
3-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one
CID 23338047

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate?
The IUPAC name of [(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate (CID 172916456) is [(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate.
What is the SMILES notation for [(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate?
The canonical SMILES for [(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate is CC(=O)O/N=C(/C)C1=CC=C[C@]2(C)CC=CC=C12.
What is the InChIKey of [(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate?
The InChIKey is JAIXDMKYDYZAIJ-CNYBTUBUSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(16-18-12(2)17)13-7-6-10-15(3)9-5-4-8-14(13)15/h4-8,10H,9H2,1-3H3/b16-11-/t15-/m0/s1.
What are the key properties of [(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate?
[(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate has a molecular weight of 243.31 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[(4aS)-4a-methyl-5H-naphthalen-1-yl]ethylideneamino] acetate is sourced from PubChem (CID 172916456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).