1,10a-dihydropyrido[1,2-a]indole

C12H11N — CID 70624059

IUPAC1,10a-dihydropyrido[1,2-a]indole
SMILESC1=CCC2C=C3C=CC=CN3C2=C1
InChIInChI=1S/C12H11N/c1-2-7-12-10(5-1)9-11-6-3-4-8-13(11)12/h1-4,6-10H,5H2
InChIKeyBOVPBHIHWHUGBK-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.73
Rot. Bonds

About 1,10a-dihydropyrido[1,2-a]indole

1,10a-dihydropyrido[1,2-a]indole (PubChem CID 70624059) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 1,10a-dihydropyrido[1,2-a]indole.

Molecular Properties

Compound Name1,10a-dihydropyrido[1,2-a]indole
PubChem CID70624059
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name1,10a-dihydropyrido[1,2-a]indole
SMILESC1=CCC2C=C3C=CC=CN3C2=C1
InChIInChI=1S/C12H11N/c1-2-7-12-10(5-1)9-11-6-3-4-8-13(11)12/h1-4,6-10H,5H2
InChIKeyBOVPBHIHWHUGBK-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,10a-dihydropyrido[1,2-a]indole 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 1,10a-dihydropyrido[1,2-a]indole?
The IUPAC name of 1,10a-dihydropyrido[1,2-a]indole (CID 70624059) is 1,10a-dihydropyrido[1,2-a]indole.
What is the SMILES notation for 1,10a-dihydropyrido[1,2-a]indole?
The canonical SMILES for 1,10a-dihydropyrido[1,2-a]indole is C1=CCC2C=C3C=CC=CN3C2=C1.
What is the InChIKey of 1,10a-dihydropyrido[1,2-a]indole?
The InChIKey is BOVPBHIHWHUGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-2-7-12-10(5-1)9-11-6-3-4-8-13(11)12/h1-4,6-10H,5H2.
What are the key properties of 1,10a-dihydropyrido[1,2-a]indole?
1,10a-dihydropyrido[1,2-a]indole has a molecular weight of 169.23 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10a-dihydropyrido[1,2-a]indole is sourced from PubChem (CID 70624059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).