3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole

C13H15N — CID 15287251

IUPAC3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESCc1c2n(c3ccccc13)CCC2C
InChIInChI=1S/C13H15N/c1-9-7-8-14-12-6-4-3-5-11(12)10(2)13(9)14/h3-6,9H,7-8H2,1-2H3
InChIKeyARZYQMBLKVERBU-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.46
Rot. Bonds

About 3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole

3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole (PubChem CID 15287251) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
PubChem CID15287251
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESCc1c2n(c3ccccc13)CCC2C
InChIInChI=1S/C13H15N/c1-9-7-8-14-12-6-4-3-5-11(12)10(2)13(9)14/h3-6,9H,7-8H2,1-2H3
InChIKeyARZYQMBLKVERBU-UHFFFAOYSA-N
XLogP3.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The IUPAC name of 3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole (CID 15287251) is 3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The canonical SMILES for 3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole is Cc1c2n(c3ccccc13)CCC2C.
What is the InChIKey of 3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The InChIKey is ARZYQMBLKVERBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-9-7-8-14-12-6-4-3-5-11(12)10(2)13(9)14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole has a molecular weight of 185.27 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 15287251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).