2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol

C17H24N2O — CID 131911427

IUPAC2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCn1ccc2ccc(CN3CCC(C(C)(C)O)C3)cc21
InChIInChI=1S/C17H24N2O/c1-17(2,20)15-7-9-19(12-15)11-13-4-5-14-6-8-18(3)16(14)10-13/h4-6,8,10,15,20H,7,9,11-12H2,1-3H3
InChIKeyWGTGYQYSDDWEAM-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.77
Rot. Bonds3

About 2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol

2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol (PubChem CID 131911427) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol
PubChem CID131911427
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCn1ccc2ccc(CN3CCC(C(C)(C)O)C3)cc21
InChIInChI=1S/C17H24N2O/c1-17(2,20)15-7-9-19(12-15)11-13-4-5-14-6-8-18(3)16(14)10-13/h4-6,8,10,15,20H,7,9,11-12H2,1-3H3
InChIKeyWGTGYQYSDDWEAM-UHFFFAOYSA-N
XLogP2.77
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131889268
1,1,1-trifluoro-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 83980891
(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
CID 70761607
2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900058
2-(1-methylindol-6-yl)acetic acid
CID 77230193
2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
CID 131925071
2-[1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
CID 131932947
[3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol
CID 74231288
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
6-cyclopropyl-1-methylindole
CID 121280278
2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131912751
1-methyl-6-(methylperoxymethyl)indole
CID 20642442

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol (CID 131911427) is 2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol is Cn1ccc2ccc(CN3CCC(C(C)(C)O)C3)cc21.
What is the InChIKey of 2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol?
The InChIKey is WGTGYQYSDDWEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,20)15-7-9-19(12-15)11-13-4-5-14-6-8-18(3)16(14)10-13/h4-6,8,10,15,20H,7,9,11-12H2,1-3H3.
What are the key properties of 2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol?
2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 131911427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).