[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate

C14H17NO2 — CID 58276056

IUPAC[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate
SMILESCCC(=O)O/N=C1\CCCc2cc(C)ccc21
InChIInChI=1S/C14H17NO2/c1-3-14(16)17-15-13-6-4-5-11-9-10(2)7-8-12(11)13/h7-9H,3-6H2,1-2H3/b15-13+
InChIKeyOVZXAFLMNNQYEP-FYWRMAATSA-N
MW231.29 g/mol
LogP2.99
Rot. Bonds2

About [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate

[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate (PubChem CID 58276056) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate.

Molecular Properties

Compound Name[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate
PubChem CID58276056
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate
SMILESCCC(=O)O/N=C1\CCCc2cc(C)ccc21
InChIInChI=1S/C14H17NO2/c1-3-14(16)17-15-13-6-4-5-11-9-10(2)7-8-12(11)13/h7-9H,3-6H2,1-2H3/b15-13+
InChIKeyOVZXAFLMNNQYEP-FYWRMAATSA-N
XLogP2.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.99
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 [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate 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 [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate?
The IUPAC name of [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate (CID 58276056) is [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate.
What is the SMILES notation for [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate?
The canonical SMILES for [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate is CCC(=O)O/N=C1\CCCc2cc(C)ccc21.
What is the InChIKey of [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate?
The InChIKey is OVZXAFLMNNQYEP-FYWRMAATSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-14(16)17-15-13-6-4-5-11-9-10(2)7-8-12(11)13/h7-9H,3-6H2,1-2H3/b15-13+.
What are the key properties of [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate?
[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate has a molecular weight of 231.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate is sourced from PubChem (CID 58276056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).