1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole

C12H14N2 — CID 10821415

IUPAC1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole
SMILESCc1cn(C)c2cc3c(cc12)NCC3
InChIInChI=1S/C12H14N2/c1-8-7-14(2)12-5-9-3-4-13-11(9)6-10(8)12/h5-7,13H,3-4H2,1-2H3
InChIKeyFKTCCMLMYHUHNJ-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.45
Rot. Bonds

About 1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole

1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole (PubChem CID 10821415) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole.

Molecular Properties

Compound Name1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole
PubChem CID10821415
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole
SMILESCc1cn(C)c2cc3c(cc12)NCC3
InChIInChI=1S/C12H14N2/c1-8-7-14(2)12-5-9-3-4-13-11(9)6-10(8)12/h5-7,13H,3-4H2,1-2H3
InChIKeyFKTCCMLMYHUHNJ-UHFFFAOYSA-N
XLogP2.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole?
The IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole (CID 10821415) is 1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole.
What is the SMILES notation for 1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole?
The canonical SMILES for 1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole is Cc1cn(C)c2cc3c(cc12)NCC3.
What is the InChIKey of 1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole?
The InChIKey is FKTCCMLMYHUHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-7-14(2)12-5-9-3-4-13-11(9)6-10(8)12/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole?
1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole has a molecular weight of 186.26 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-f]indole is sourced from PubChem (CID 10821415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).