1-methyl-3-prop-2-ynyl-3H-indol-2-one

C12H11NO — CID 141131768

IUPAC1-methyl-3-prop-2-ynyl-3H-indol-2-one
SMILESC#CCC1C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H11NO/c1-3-6-10-9-7-4-5-8-11(9)13(2)12(10)14/h1,4-5,7-8,10H,6H2,2H3
InChIKeyHVBSRUVMRSNYCP-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.77
Rot. Bonds1

About 1-methyl-3-prop-2-ynyl-3H-indol-2-one

1-methyl-3-prop-2-ynyl-3H-indol-2-one (PubChem CID 141131768) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-methyl-3-prop-2-ynyl-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-3-prop-2-ynyl-3H-indol-2-one
PubChem CID141131768
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-methyl-3-prop-2-ynyl-3H-indol-2-one
SMILESC#CCC1C(=O)N(C)c2ccccc21
InChIInChI=1S/C12H11NO/c1-3-6-10-9-7-4-5-8-11(9)13(2)12(10)14/h1,4-5,7-8,10H,6H2,2H3
InChIKeyHVBSRUVMRSNYCP-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-2-ynyl-3H-indol-2-one?
The IUPAC name of 1-methyl-3-prop-2-ynyl-3H-indol-2-one (CID 141131768) is 1-methyl-3-prop-2-ynyl-3H-indol-2-one.
What is the SMILES notation for 1-methyl-3-prop-2-ynyl-3H-indol-2-one?
The canonical SMILES for 1-methyl-3-prop-2-ynyl-3H-indol-2-one is C#CCC1C(=O)N(C)c2ccccc21.
What is the InChIKey of 1-methyl-3-prop-2-ynyl-3H-indol-2-one?
The InChIKey is HVBSRUVMRSNYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-3-6-10-9-7-4-5-8-11(9)13(2)12(10)14/h1,4-5,7-8,10H,6H2,2H3.
What are the key properties of 1-methyl-3-prop-2-ynyl-3H-indol-2-one?
1-methyl-3-prop-2-ynyl-3H-indol-2-one has a molecular weight of 185.23 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-ynyl-3H-indol-2-one is sourced from PubChem (CID 141131768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).