2,3,3a,4-tetrahydro-1H-indole;1H-indole

C16H18N2 — CID 174827013

IUPAC2,3,3a,4-tetrahydro-1H-indole;1H-indole
SMILESC1=CCC2CCNC2=C1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H11N.C8H7N/c2*1-2-4-8-7(3-1)5-6-9-8/h1-2,4,7,9H,3,5-6H2;1-6,9H
InChIKeyMYDRFHMHXKIKRW-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.61
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-indole;1H-indole

2,3,3a,4-tetrahydro-1H-indole;1H-indole (PubChem CID 174827013) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-indole;1H-indole.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-indole;1H-indole
PubChem CID174827013
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2,3,3a,4-tetrahydro-1H-indole;1H-indole
SMILESC1=CCC2CCNC2=C1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H11N.C8H7N/c2*1-2-4-8-7(3-1)5-6-9-8/h1-2,4,7,9H,3,5-6H2;1-6,9H
InChIKeyMYDRFHMHXKIKRW-UHFFFAOYSA-N
XLogP3.61
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2,3,3a,4-tetrahydro-1H-indole;1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cesium;1H-indole;hydroxide
CID 175329356
1H-indole;dihydrochloride
CID 18796541
1H-indole;1,4,7-triazonane
CID 158488040
CID 174930358
CID 174930358
disodium;tris(1H-indole);sulfide
CID 67840647
1H-indole;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174779227
bis(1H-indole);methanol
CID 70305490
1H-indole;oxozinc
CID 174920230
ethane;1H-indole;methane
CID 169425426
1H-indole;triazine
CID 90303592
imino(dioxido)azanium;1H-indole
CID 90133687
CID 175434437
CID 175434437

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-indole;1H-indole?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-indole;1H-indole (CID 174827013) is 2,3,3a,4-tetrahydro-1H-indole;1H-indole.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-indole;1H-indole?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-indole;1H-indole is C1=CCC2CCNC2=C1.c1ccc2[nH]ccc2c1.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-indole;1H-indole?
The InChIKey is MYDRFHMHXKIKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C8H7N/c2*1-2-4-8-7(3-1)5-6-9-8/h1-2,4,7,9H,3,5-6H2;1-6,9H.
What are the key properties of 2,3,3a,4-tetrahydro-1H-indole;1H-indole?
2,3,3a,4-tetrahydro-1H-indole;1H-indole has a molecular weight of 238.33 g/mol, XLogP of 3.61, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-indole;1H-indole is sourced from PubChem (CID 174827013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).