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

C12H11N — CID 102254626

IUPAC3-methyl-4H-pyrrolo[1,2-a]indole
SMILESCc1ccn2c1Cc1ccccc1-2
InChIInChI=1S/C12H11N/c1-9-6-7-13-11-5-3-2-4-10(11)8-12(9)13/h2-7H,8H2,1H3
InChIKeyUAHMQTWKJIOYIQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.69
Rot. Bonds

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

3-methyl-4H-pyrrolo[1,2-a]indole (PubChem CID 102254626) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-methyl-4H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name3-methyl-4H-pyrrolo[1,2-a]indole
PubChem CID102254626
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name3-methyl-4H-pyrrolo[1,2-a]indole
SMILESCc1ccn2c1Cc1ccccc1-2
InChIInChI=1S/C12H11N/c1-9-6-7-13-11-5-3-2-4-10(11)8-12(9)13/h2-7H,8H2,1H3
InChIKeyUAHMQTWKJIOYIQ-UHFFFAOYSA-N
XLogP2.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-4H-pyrrolo[1,2-a]indole
CID 102254631
3-methyl-4H-imidazo[1,2-a]indol-3-ium
CID 157267429
10-phenyl-7,8,9,11-tetrahydro-6H-indolo[1,2-a]indole
CID 46846061
4,10-dimethyl-9H-acridine
CID 159483382
10-propyl-9H-acridine
CID 71122947
4-methyl-4,6-dihydropyrrolo[1,2-a][1]benzazepin-5-one
CID 59032754
1-(2,6-dimethylphenyl)-3H-indol-2-one
CID 82044310
1-methyl-3H-indole-2-thione
CID 26156
(3,4-dimethylphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
CID 157289563
3-methyl-4,5-dihydropyrazolo[1,5-a]quinoline
CID 59030814
1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one
CID 134858041
2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 122432558

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-pyrrolo[1,2-a]indole?
The IUPAC name of 3-methyl-4H-pyrrolo[1,2-a]indole (CID 102254626) is 3-methyl-4H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 3-methyl-4H-pyrrolo[1,2-a]indole?
The canonical SMILES for 3-methyl-4H-pyrrolo[1,2-a]indole is Cc1ccn2c1Cc1ccccc1-2.
What is the InChIKey of 3-methyl-4H-pyrrolo[1,2-a]indole?
The InChIKey is UAHMQTWKJIOYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-9-6-7-13-11-5-3-2-4-10(11)8-12(9)13/h2-7H,8H2,1H3.
What are the key properties of 3-methyl-4H-pyrrolo[1,2-a]indole?
3-methyl-4H-pyrrolo[1,2-a]indole has a molecular weight of 169.23 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 102254626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).