1-prop-2-enoxy-2,3-dihydroinden-1-amine

C12H15NO — CID 168860532

IUPAC1-prop-2-enoxy-2,3-dihydroinden-1-amine
SMILESC=CCOC1(N)CCc2ccccc21
InChIInChI=1S/C12H15NO/c1-2-9-14-12(13)8-7-10-5-3-4-6-11(10)12/h2-6H,1,7-9,13H2
InChIKeyHMCHUDYQGWFBQM-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.95
Rot. Bonds3

About 1-prop-2-enoxy-2,3-dihydroinden-1-amine

1-prop-2-enoxy-2,3-dihydroinden-1-amine (PubChem CID 168860532) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-prop-2-enoxy-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-prop-2-enoxy-2,3-dihydroinden-1-amine
PubChem CID168860532
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-prop-2-enoxy-2,3-dihydroinden-1-amine
SMILESC=CCOC1(N)CCc2ccccc21
InChIInChI=1S/C12H15NO/c1-2-9-14-12(13)8-7-10-5-3-4-6-11(10)12/h2-6H,1,7-9,13H2
InChIKeyHMCHUDYQGWFBQM-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-prop-2-enoxy-2,3-dihydroinden-1-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-enoxy-2,3-dihydroinden-1-amine?
The IUPAC name of 1-prop-2-enoxy-2,3-dihydroinden-1-amine (CID 168860532) is 1-prop-2-enoxy-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-prop-2-enoxy-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-prop-2-enoxy-2,3-dihydroinden-1-amine is C=CCOC1(N)CCc2ccccc21.
What is the InChIKey of 1-prop-2-enoxy-2,3-dihydroinden-1-amine?
The InChIKey is HMCHUDYQGWFBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-9-14-12(13)8-7-10-5-3-4-6-11(10)12/h2-6H,1,7-9,13H2.
What are the key properties of 1-prop-2-enoxy-2,3-dihydroinden-1-amine?
1-prop-2-enoxy-2,3-dihydroinden-1-amine has a molecular weight of 189.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-2,3-dihydroinden-1-amine is sourced from PubChem (CID 168860532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).