[1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C19H25NO3 — CID 11681218

IUPAC[1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(C[C@@H](O)CO)c3ccccc23)C1(C)C
InChIInChI=1S/C19H25NO3/c1-18(2)17(19(18,3)4)16(23)14-10-20(9-12(22)11-21)15-8-6-5-7-13(14)15/h5-8,10,12,17,21-22H,9,11H2,1-4H3/t12-/m1/s1
InChIKeyODXNFWFHSNLGBL-GFCCVEGCSA-N
MW315.41 g/mol
LogP2.86
Rot. Bonds5

About [1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11681218) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is [1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11681218
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name[1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(C[C@@H](O)CO)c3ccccc23)C1(C)C
InChIInChI=1S/C19H25NO3/c1-18(2)17(19(18,3)4)16(23)14-10-20(9-12(22)11-21)15-8-6-5-7-13(14)15/h5-8,10,12,17,21-22H,9,11H2,1-4H3/t12-/m1/s1
InChIKeyODXNFWFHSNLGBL-GFCCVEGCSA-N
XLogP2.86
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 132989410
[1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11580465
[1-(4-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 91736656
[1-(1,1,2,2,3,3,4,4,5,5-decadeuterio-5-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 169447606
5-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]pentanoic acid
CID 86268508
[1-[2-(4-methylpiperazin-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11559687
[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537904
[1-(5-bromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 169435072
[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11529923
1-[1-(2,3-dihydroxypropyl)-5-fluoroindol-3-yl]ethanone
CID 117098722
N-(1-hydroxypropan-2-yl)-1-(2-methylpropyl)indole-3-carboxamide
CID 110900843
[1-(2-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
CID 165361507

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11681218) is [1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(C[C@@H](O)CO)c3ccccc23)C1(C)C.
What is the InChIKey of [1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is ODXNFWFHSNLGBL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H25NO3/c1-18(2)17(19(18,3)4)16(23)14-10-20(9-12(22)11-21)15-8-6-5-7-13(14)15/h5-8,10,12,17,21-22H,9,11H2,1-4H3/t12-/m1/s1.
What are the key properties of [1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 315.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11681218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).