(2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol

C14H18N2O — CID 64868312

IUPAC(2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
SMILESCc1[nH]c2ccccc2c1C(O)C1CCCN1
InChIInChI=1S/C14H18N2O/c1-9-13(14(17)12-7-4-8-15-12)10-5-2-3-6-11(10)16-9/h2-3,5-6,12,14-17H,4,7-8H2,1H3
InChIKeyXRGHMTGPRUYRPW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.26
Rot. Bonds2

About (2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol

(2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol (PubChem CID 64868312) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
PubChem CID64868312
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol
SMILESCc1[nH]c2ccccc2c1C(O)C1CCCN1
InChIInChI=1S/C14H18N2O/c1-9-13(14(17)12-7-4-8-15-12)10-5-2-3-6-11(10)16-9/h2-3,5-6,12,14-17H,4,7-8H2,1H3
InChIKeyXRGHMTGPRUYRPW-UHFFFAOYSA-N
XLogP2.26
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanol
CID 43146530
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
1-(2-methyl-1H-indol-3-yl)propane-1,2,3-triol
CID 170819227
2-(cyclopropylamino)-1-(2-methyl-1H-indol-3-yl)propan-1-ol
CID 82294420
2-methyl-3-(1-piperidin-4-yloxyethyl)-1H-indole
CID 82300707
(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol
CID 64866585
1-(2-methyl-1H-indol-3-yl)-2-sulfanylethanol
CID 116830002
ethane;(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-2-ylmethanol
CID 142507550
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
3-[3-cyclohexyl-1-(2-methyl-1H-indol-3-yl)propyl]-2-methyl-1H-indole
CID 102450410
(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 155010567
azepan-2-yl-(2-methylquinolin-4-yl)methanol
CID 79235774

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol (CID 64868312) is (2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol is Cc1[nH]c2ccccc2c1C(O)C1CCCN1.
What is the InChIKey of (2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is XRGHMTGPRUYRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-13(14(17)12-7-4-8-15-12)10-5-2-3-6-11(10)16-9/h2-3,5-6,12,14-17H,4,7-8H2,1H3.
What are the key properties of (2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol?
(2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol has a molecular weight of 230.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-indol-3-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 64868312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).