(3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one

C14H17NO2 — CID 2265379

IUPAC(3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one
SMILESCCO/C(C)=C1\C(=O)N(CC)c2ccccc21
InChIInChI=1S/C14H17NO2/c1-4-15-12-9-7-6-8-11(12)13(14(15)16)10(3)17-5-2/h6-9H,4-5H2,1-3H3/b13-10-
InChIKeyVKVADPZCTOTQSQ-RAXLEYEMSA-N
MW231.29 g/mol
LogP2.82
Rot. Bonds3

About (3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one

(3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one (PubChem CID 2265379) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one.

Molecular Properties

Compound Name(3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one
PubChem CID2265379
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one
SMILESCCO/C(C)=C1\C(=O)N(CC)c2ccccc21
InChIInChI=1S/C14H17NO2/c1-4-15-12-9-7-6-8-11(12)13(14(15)16)10(3)17-5-2/h6-9H,4-5H2,1-3H3/b13-10-
InChIKeyVKVADPZCTOTQSQ-RAXLEYEMSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one 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 (3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one?
The IUPAC name of (3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one (CID 2265379) is (3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one.
What is the SMILES notation for (3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one?
The canonical SMILES for (3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one is CCO/C(C)=C1\C(=O)N(CC)c2ccccc21.
What is the InChIKey of (3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one?
The InChIKey is VKVADPZCTOTQSQ-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-15-12-9-7-6-8-11(12)13(14(15)16)10(3)17-5-2/h6-9H,4-5H2,1-3H3/b13-10-.
What are the key properties of (3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one?
(3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one has a molecular weight of 231.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-ethoxyethylidene)-1-ethylindol-2-one is sourced from PubChem (CID 2265379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).