3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole

C13H15N — CID 15287249

IUPAC3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole
SMILESCC1(C)CCn2c1cc1ccccc12
InChIInChI=1S/C13H15N/c1-13(2)7-8-14-11-6-4-3-5-10(11)9-12(13)14/h3-6,9H,7-8H2,1-2H3
InChIKeyJWCSTLSHWGAHCA-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.32
Rot. Bonds

About 3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole

3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole (PubChem CID 15287249) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole.

Molecular Properties

Compound Name3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole
PubChem CID15287249
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole
SMILESCC1(C)CCn2c1cc1ccccc12
InChIInChI=1S/C13H15N/c1-13(2)7-8-14-11-6-4-3-5-10(11)9-12(13)14/h3-6,9H,7-8H2,1-2H3
InChIKeyJWCSTLSHWGAHCA-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-methyl-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]indole
CID 102443855
1-methyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole
CID 139261397
1-(1-methylindol-2-yl)cyclobutan-1-ol
CID 102201161
9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]indole
CID 15287247
1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 10559092
1-[2-(1-methylindol-2-yl)-1,3-dithian-2-yl]cyclohexan-1-ol
CID 14567329
methyl 3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
CID 110646938
3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl-(4-methyl-1-pyridin-4-ylpiperidin-4-yl)methanone
CID 166246706
1'-acetylspiro[4H-[1,4]oxazino[4,3-a]indole-3,4'-piperidine]-1-one
CID 92549022
9-ethyl-9-hydroxy-7,8-dihydropyrido[1,2-a]indol-6-one
CID 71469389
1,3,9-trimethyl-1-phenyl-4,5-dihydro-3H-[1,4]oxazepino[4,3-a]indole
CID 102443863
6,7,8,9-tetrahydropyrido[1,2-a]indol-8-ol
CID 115017308

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole?
The IUPAC name of 3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole (CID 15287249) is 3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole.
What is the SMILES notation for 3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole?
The canonical SMILES for 3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole is CC1(C)CCn2c1cc1ccccc12.
What is the InChIKey of 3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole?
The InChIKey is JWCSTLSHWGAHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-13(2)7-8-14-11-6-4-3-5-10(11)9-12(13)14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole?
3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole has a molecular weight of 185.27 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,2-dihydropyrrolo[1,2-a]indole is sourced from PubChem (CID 15287249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).