3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol

C18H27N3O — CID 70748363

IUPAC3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol
SMILESCc1[nH]c2c(CN3CCC(O)(CN(C)C)C3)cccc2c1C
InChIInChI=1S/C18H27N3O/c1-13-14(2)19-17-15(6-5-7-16(13)17)10-21-9-8-18(22,12-21)11-20(3)4/h5-7,19,22H,8-12H2,1-4H3
InChIKeyWINKWKWHOOFERT-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.28
Rot. Bonds4

About 3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol

3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol (PubChem CID 70748363) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol
PubChem CID70748363
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol
SMILESCc1[nH]c2c(CN3CCC(O)(CN(C)C)C3)cccc2c1C
InChIInChI=1S/C18H27N3O/c1-13-14(2)19-17-15(6-5-7-16(13)17)10-21-9-8-18(22,12-21)11-20(3)4/h5-7,19,22H,8-12H2,1-4H3
InChIKeyWINKWKWHOOFERT-UHFFFAOYSA-N
XLogP2.28
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 77097788
1-[(2,3-dimethyl-1H-indol-7-yl)methyl]-N,N-dimethylazepan-4-amine
CID 56889867
(3R)-3-[(dimethylamino)methyl]-1-(quinolin-5-ylmethyl)piperidin-3-ol
CID 95897724
1-(2,3-dimethyl-1H-indol-7-yl)-N,N-dimethylmethanamine
CID 124705917
9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906368
2-[[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methyl]benzoic acid
CID 77081860
2-[[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]methyl]-6,8-dimethyl-1H-quinolin-4-one
CID 97146242
4-[1-[(2,3-dimethyl-1H-indol-7-yl)methyl]azetidin-3-yl]morpholine
CID 77085757
2,3-dimethyl-7-[[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-indole
CID 77087226
(3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol
CID 95889349
(4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-[(dimethylamino)methyl]azepan-4-ol
CID 95730390
N-[[5-[(2,3-dimethyl-1H-indol-7-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
CID 118770884

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol (CID 70748363) is 3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol is Cc1[nH]c2c(CN3CCC(O)(CN(C)C)C3)cccc2c1C.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol?
The InChIKey is WINKWKWHOOFERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13-14(2)19-17-15(6-5-7-16(13)17)10-21-9-8-18(22,12-21)11-20(3)4/h5-7,19,22H,8-12H2,1-4H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol?
3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol has a molecular weight of 301.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-[(2,3-dimethyl-1H-indol-7-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70748363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).