5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

C16H20N2 — CID 10220397

IUPAC5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
SMILESC=Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C16H20N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h3,6-7,9,11,14,17H,1,4-5,8,10H2,2H3/t14-/m1/s1
InChIKeyPNFOQRUTYUZUCT-CQSZACIVSA-N
MW240.35 g/mol
LogP3.45
Rot. Bonds3

About 5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 10220397) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
PubChem CID10220397
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
SMILESC=Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
InChIInChI=1S/C16H20N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h3,6-7,9,11,14,17H,1,4-5,8,10H2,2H3/t14-/m1/s1
InChIKeyPNFOQRUTYUZUCT-CQSZACIVSA-N
XLogP3.45
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol
CID 22870304
5-[2-(4-methylphenyl)sulfonylethenyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 67692097
5-[(E)-2-(4-methylphenyl)sulfonylethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67692093
ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 91530661
1-[2-(benzenesulfonyl)-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethyl]-5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 163480743
N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide
CID 57122528
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
CID 163863896
N-methyl-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-1-prop-2-enylsulfonylmethanamine
CID 174270352
[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea
CID 19040775

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (CID 10220397) is 5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is C=Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1.
What is the InChIKey of 5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is PNFOQRUTYUZUCT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-12-6-7-16-15(9-12)13(11-17-16)10-14-5-4-8-18(14)2/h3,6-7,9,11,14,17H,1,4-5,8,10H2,2H3/t14-/m1/s1.
What are the key properties of 5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 240.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 10220397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).