1,2,3,3a-tetrahydroindeno[1,2-g]indole

C15H13N — CID 87216495

IUPAC1,2,3,3a-tetrahydroindeno[1,2-g]indole
SMILESC1=CC2CCNC2=C2C=c3ccccc3=C12
InChIInChI=1S/C15H13N/c1-2-4-12-11(3-1)9-14-13(12)6-5-10-7-8-16-15(10)14/h1-6,9-10,16H,7-8H2
InChIKeyVMMUGOUUBVDDPV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.06
Rot. Bonds

About 1,2,3,3a-tetrahydroindeno[1,2-g]indole

1,2,3,3a-tetrahydroindeno[1,2-g]indole (PubChem CID 87216495) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 1,2,3,3a-tetrahydroindeno[1,2-g]indole.

Molecular Properties

Compound Name1,2,3,3a-tetrahydroindeno[1,2-g]indole
PubChem CID87216495
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name1,2,3,3a-tetrahydroindeno[1,2-g]indole
SMILESC1=CC2CCNC2=C2C=c3ccccc3=C12
InChIInChI=1S/C15H13N/c1-2-4-12-11(3-1)9-14-13(12)6-5-10-7-8-16-15(10)14/h1-6,9-10,16H,7-8H2
InChIKeyVMMUGOUUBVDDPV-UHFFFAOYSA-N
XLogP1.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydroindole
CID 18315885
2,3,3a,7a-tetrahydro-1H-isoindole
CID 19381776
Hexahydro-indenopyrrole
CID 67722793
Hexahydrocyclopentaindole
CID 68427717
Cyclopentapyrrolidine
CID 70099127
Hexahydrocyclopenta[f]indole
CID 70115040
Tetrahydrobenzindole
CID 87369041
Dihydroindenoindole
CID 87773111
2,3,3a,9a-tetrahydro-1H-benzo[f]isoindole
CID 121473949
Dihydroindeno[1,2-b]pyridine
CID 129712711
Dihydroindeno[1,2-b]pyrrole
CID 129864700
1,2,2,3,3,3a,4-heptadeuterio-4H-indole
CID 140923187

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a-tetrahydroindeno[1,2-g]indole?
The IUPAC name of 1,2,3,3a-tetrahydroindeno[1,2-g]indole (CID 87216495) is 1,2,3,3a-tetrahydroindeno[1,2-g]indole.
What is the SMILES notation for 1,2,3,3a-tetrahydroindeno[1,2-g]indole?
The canonical SMILES for 1,2,3,3a-tetrahydroindeno[1,2-g]indole is C1=CC2CCNC2=C2C=c3ccccc3=C12.
What is the InChIKey of 1,2,3,3a-tetrahydroindeno[1,2-g]indole?
The InChIKey is VMMUGOUUBVDDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-2-4-12-11(3-1)9-14-13(12)6-5-10-7-8-16-15(10)14/h1-6,9-10,16H,7-8H2.
What are the key properties of 1,2,3,3a-tetrahydroindeno[1,2-g]indole?
1,2,3,3a-tetrahydroindeno[1,2-g]indole has a molecular weight of 207.28 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a-tetrahydroindeno[1,2-g]indole is sourced from PubChem (CID 87216495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).