3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole

C13H14N2 — CID 137097331

IUPAC3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
SMILESC[C@@H]1CCC(c2c[nH]c3ccccc23)=N1
InChIInChI=1S/C13H14N2/c1-9-6-7-13(15-9)11-8-14-12-5-3-2-4-10(11)12/h2-5,8-9,14H,6-7H2,1H3/t9-/m1/s1
InChIKeyUROIRBAMEWRJTC-SECBINFHSA-N
MW198.27 g/mol
LogP3.14
Rot. Bonds1

About 3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole

3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole (PubChem CID 137097331) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole.

Molecular Properties

Compound Name3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
PubChem CID137097331
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
SMILESC[C@@H]1CCC(c2c[nH]c3ccccc23)=N1
InChIInChI=1S/C13H14N2/c1-9-6-7-13(15-9)11-8-14-12-5-3-2-4-10(11)12/h2-5,8-9,14H,6-7H2,1H3/t9-/m1/s1
InChIKeyUROIRBAMEWRJTC-SECBINFHSA-N
XLogP3.14
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4R)-4-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
CID 137097329
2-(1H-indol-3-yl)-3H-indole
CID 163416742
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
CID 174403598
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
3-propan-2-yl-1H-indole
CID 12534824
methane;3-phenyl-1H-indole
CID 167711687
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
3-pyridin-4-yl-1H-indole
CID 159430533
3-(5-cyclopropyl-2-methylpyrimidin-4-yl)-1H-indole
CID 144611466
4-[4-(1H-indol-3-yl)-2,3-dihydro-1,5-benzoxazepin-2-yl]-N,N-dimethylaniline
CID 135447802
1-[4-(1H-indol-3-yl)-6-methylpyrimidin-2-yl]cyclopropan-1-amine
CID 116896681

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole?
The IUPAC name of 3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole (CID 137097331) is 3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole.
What is the SMILES notation for 3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole?
The canonical SMILES for 3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole is C[C@@H]1CCC(c2c[nH]c3ccccc23)=N1.
What is the InChIKey of 3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole?
The InChIKey is UROIRBAMEWRJTC-SECBINFHSA-N. The full InChI is InChI=1S/C13H14N2/c1-9-6-7-13(15-9)11-8-14-12-5-3-2-4-10(11)12/h2-5,8-9,14H,6-7H2,1H3/t9-/m1/s1.
What are the key properties of 3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole?
3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole has a molecular weight of 198.27 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole is sourced from PubChem (CID 137097331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).