2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole

C12H14N2 — CID 89011412

IUPAC2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole
SMILESCc1cc2cc3c(cc2[nH]1)CC(C)N3
InChIInChI=1S/C12H14N2/c1-7-3-9-5-12-10(4-8(2)14-12)6-11(9)13-7/h3,5-6,8,13-14H,4H2,1-2H3
InChIKeyHNZWPTAGHAYLRU-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.83
Rot. Bonds

About 2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole

2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole (PubChem CID 89011412) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole.

Molecular Properties

Compound Name2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole
PubChem CID89011412
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole
SMILESCc1cc2cc3c(cc2[nH]1)CC(C)N3
InChIInChI=1S/C12H14N2/c1-7-3-9-5-12-10(4-8(2)14-12)6-11(9)13-7/h3,5-6,8,13-14H,4H2,1-2H3
InChIKeyHNZWPTAGHAYLRU-UHFFFAOYSA-N
XLogP2.83
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole?
The IUPAC name of 2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole (CID 89011412) is 2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole.
What is the SMILES notation for 2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole?
The canonical SMILES for 2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole is Cc1cc2cc3c(cc2[nH]1)CC(C)N3.
What is the InChIKey of 2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole?
The InChIKey is HNZWPTAGHAYLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-7-3-9-5-12-10(4-8(2)14-12)6-11(9)13-7/h3,5-6,8,13-14H,4H2,1-2H3.
What are the key properties of 2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole?
2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole has a molecular weight of 186.26 g/mol, XLogP of 2.83, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole is sourced from PubChem (CID 89011412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).