1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole

C17H20N2 — CID 13214536

IUPAC1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole
SMILESCc1c(-c2[nH]ccc2C(C)C)c2ccccc2n1C
InChIInChI=1S/C17H20N2/c1-11(2)13-9-10-18-17(13)16-12(3)19(4)15-8-6-5-7-14(15)16/h5-11,18H,1-4H3
InChIKeyLNLLJGOEJOYYGO-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.61
Rot. Bonds2

About 1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole

1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole (PubChem CID 13214536) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole.

Molecular Properties

Compound Name1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole
PubChem CID13214536
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole
SMILESCc1c(-c2[nH]ccc2C(C)C)c2ccccc2n1C
InChIInChI=1S/C17H20N2/c1-11(2)13-9-10-18-17(13)16-12(3)19(4)15-8-6-5-7-14(15)16/h5-11,18H,1-4H3
InChIKeyLNLLJGOEJOYYGO-UHFFFAOYSA-N
XLogP4.61
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-(1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
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ethane;tris(ethane-1,1-diol);tris(1,2,3-trimethylindole)
CID 160660144
ethane;1,2,3-trimethylindole
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[2-(1,2-dimethylindol-3-yl)phenyl]methanol
CID 143270609
2,3-di(propan-2-yl)-1H-pyrrole;ethane
CID 158864086
3-iodo-1,2-dimethylindole
CID 19093282
3-(cyclohexen-1-yl)-1,2-dimethylindole
CID 15619846
[3-(1,2-dimethylindol-3-yl)-1H-pyrazol-5-yl]methanamine
CID 82477320
5-(1,2-dimethylindol-3-yl)-1,3-oxazol-2-amine
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CID 95438701

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole?
The IUPAC name of 1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole (CID 13214536) is 1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole.
What is the SMILES notation for 1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole?
The canonical SMILES for 1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole is Cc1c(-c2[nH]ccc2C(C)C)c2ccccc2n1C.
What is the InChIKey of 1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole?
The InChIKey is LNLLJGOEJOYYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-11(2)13-9-10-18-17(13)16-12(3)19(4)15-8-6-5-7-14(15)16/h5-11,18H,1-4H3.
What are the key properties of 1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole?
1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole has a molecular weight of 252.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(3-propan-2-yl-1H-pyrrol-2-yl)indole is sourced from PubChem (CID 13214536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).