3-ethylidene-1-methylindol-2-one

C11H11NO — CID 85157103

IUPAC3-ethylidene-1-methylindol-2-one
SMILESCC=C1C(=O)N(C)c2ccccc21
InChIInChI=1S/C11H11NO/c1-3-8-9-6-4-5-7-10(9)12(2)11(8)13/h3-7H,1-2H3
InChIKeyTVPDOFVCIQFJJA-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.07
Rot. Bonds

About 3-ethylidene-1-methylindol-2-one

3-ethylidene-1-methylindol-2-one (PubChem CID 85157103) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-ethylidene-1-methylindol-2-one.

Molecular Properties

Compound Name3-ethylidene-1-methylindol-2-one
PubChem CID85157103
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-ethylidene-1-methylindol-2-one
SMILESCC=C1C(=O)N(C)c2ccccc21
InChIInChI=1S/C11H11NO/c1-3-8-9-6-4-5-7-10(9)12(2)11(8)13/h3-7H,1-2H3
InChIKeyTVPDOFVCIQFJJA-UHFFFAOYSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-1-methylindol-2-one?
The IUPAC name of 3-ethylidene-1-methylindol-2-one (CID 85157103) is 3-ethylidene-1-methylindol-2-one.
What is the SMILES notation for 3-ethylidene-1-methylindol-2-one?
The canonical SMILES for 3-ethylidene-1-methylindol-2-one is CC=C1C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-ethylidene-1-methylindol-2-one?
The InChIKey is TVPDOFVCIQFJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-8-9-6-4-5-7-10(9)12(2)11(8)13/h3-7H,1-2H3.
What are the key properties of 3-ethylidene-1-methylindol-2-one?
3-ethylidene-1-methylindol-2-one has a molecular weight of 173.21 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-1-methylindol-2-one is sourced from PubChem (CID 85157103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).