1-prop-2-ynylidene-2,3-dihydroinden-5-amine

C12H11N — CID 79879291

IUPAC1-prop-2-ynylidene-2,3-dihydroinden-5-amine
SMILESC#CC=C1CCc2cc(N)ccc21
InChIInChI=1S/C12H11N/c1-2-3-9-4-5-10-8-11(13)6-7-12(9)10/h1,3,6-8H,4-5,13H2
InChIKeyXPAVROKLBFZLJL-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.23
Rot. Bonds

About 1-prop-2-ynylidene-2,3-dihydroinden-5-amine

1-prop-2-ynylidene-2,3-dihydroinden-5-amine (PubChem CID 79879291) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-prop-2-ynylidene-2,3-dihydroinden-5-amine.

Molecular Properties

Compound Name1-prop-2-ynylidene-2,3-dihydroinden-5-amine
PubChem CID79879291
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name1-prop-2-ynylidene-2,3-dihydroinden-5-amine
SMILESC#CC=C1CCc2cc(N)ccc21
InChIInChI=1S/C12H11N/c1-2-3-9-4-5-10-8-11(13)6-7-12(9)10/h1,3,6-8H,4-5,13H2
InChIKeyXPAVROKLBFZLJL-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-prop-2-ynylidene-2,3-dihydroinden-5-amine 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 1-prop-2-ynylidene-2,3-dihydroinden-5-amine?
The IUPAC name of 1-prop-2-ynylidene-2,3-dihydroinden-5-amine (CID 79879291) is 1-prop-2-ynylidene-2,3-dihydroinden-5-amine.
What is the SMILES notation for 1-prop-2-ynylidene-2,3-dihydroinden-5-amine?
The canonical SMILES for 1-prop-2-ynylidene-2,3-dihydroinden-5-amine is C#CC=C1CCc2cc(N)ccc21.
What is the InChIKey of 1-prop-2-ynylidene-2,3-dihydroinden-5-amine?
The InChIKey is XPAVROKLBFZLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-2-3-9-4-5-10-8-11(13)6-7-12(9)10/h1,3,6-8H,4-5,13H2.
What are the key properties of 1-prop-2-ynylidene-2,3-dihydroinden-5-amine?
1-prop-2-ynylidene-2,3-dihydroinden-5-amine has a molecular weight of 169.23 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylidene-2,3-dihydroinden-5-amine is sourced from PubChem (CID 79879291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).