2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole

C12H12N2 — CID 70084835

IUPAC2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole
SMILESCC1N=c2cc3c(cc2C1C)=NC=C3
InChIInChI=1S/C12H12N2/c1-7-8(2)14-12-5-9-3-4-13-11(9)6-10(7)12/h3-8H,1-2H3
InChIKeyMTMQCMCCIWHDCZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.42
Rot. Bonds

About 2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole

2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole (PubChem CID 70084835) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole.

Molecular Properties

Compound Name2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole
PubChem CID70084835
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole
SMILESCC1N=c2cc3c(cc2C1C)=NC=C3
InChIInChI=1S/C12H12N2/c1-7-8(2)14-12-5-9-3-4-13-11(9)6-10(7)12/h3-8H,1-2H3
InChIKeyMTMQCMCCIWHDCZ-UHFFFAOYSA-N
XLogP1.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole?
The IUPAC name of 2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole (CID 70084835) is 2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole.
What is the SMILES notation for 2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole?
The canonical SMILES for 2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole is CC1N=c2cc3c(cc2C1C)=NC=C3.
What is the InChIKey of 2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole?
The InChIKey is MTMQCMCCIWHDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-7-8(2)14-12-5-9-3-4-13-11(9)6-10(7)12/h3-8H,1-2H3.
What are the key properties of 2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole?
2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole has a molecular weight of 184.24 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,3-dihydropyrrolo[2,3-f]indole is sourced from PubChem (CID 70084835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).