1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol

C22H30N2O — CID 22870304

IUPAC1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C/CC3(O)CCCC3)cc12
InChIInChI=1S/C22H30N2O/c1-24-13-5-7-19(24)15-18-16-23-21-9-8-17(14-20(18)21)6-4-12-22(25)10-2-3-11-22/h4,6,8-9,14,16,19,23,25H,2-3,5,7,10-13,15H2,1H3/b6-4+/t19-/m1/s1
InChIKeyWLGNVMJDAOEZPB-FHHGHWCOSA-N
MW338.50 g/mol
LogP4.51
Rot. Bonds5

About 1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol

1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol (PubChem CID 22870304) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol
PubChem CID22870304
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C/CC3(O)CCCC3)cc12
InChIInChI=1S/C22H30N2O/c1-24-13-5-7-19(24)15-18-16-23-21-9-8-17(14-20(18)21)6-4-12-22(25)10-2-3-11-22/h4,6,8-9,14,16,19,23,25H,2-3,5,7,10-13,15H2,1H3/b6-4+/t19-/m1/s1
InChIKeyWLGNVMJDAOEZPB-FHHGHWCOSA-N
XLogP4.51
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 10220397
N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide
CID 57122528
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
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
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
ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 91530661
[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea
CID 19040775
3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
CID 54079951
2-methyl-5-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]pentan-2-ol
CID 22870340
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
CID 163863896

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol?
The IUPAC name of 1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol (CID 22870304) is 1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol is CN1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C/CC3(O)CCCC3)cc12.
What is the InChIKey of 1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol?
The InChIKey is WLGNVMJDAOEZPB-FHHGHWCOSA-N. The full InChI is InChI=1S/C22H30N2O/c1-24-13-5-7-19(24)15-18-16-23-21-9-8-17(14-20(18)21)6-4-12-22(25)10-2-3-11-22/h4,6,8-9,14,16,19,23,25H,2-3,5,7,10-13,15H2,1H3/b6-4+/t19-/m1/s1.
What are the key properties of 1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol?
1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol has a molecular weight of 338.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol is sourced from PubChem (CID 22870304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).