[1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C20H27NO2 — CID 11580465

IUPAC[1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCCCO)c3ccccc23)C1(C)C
InChIInChI=1S/C20H27NO2/c1-19(2)18(20(19,3)4)17(23)15-13-21(11-7-8-12-22)16-10-6-5-9-14(15)16/h5-6,9-10,13,18,22H,7-8,11-12H2,1-4H3
InChIKeyFLRZCGZOXGSCNM-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.28
Rot. Bonds6

About [1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 11580465) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is [1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID11580465
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name[1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CCCCO)c3ccccc23)C1(C)C
InChIInChI=1S/C20H27NO2/c1-19(2)18(20(19,3)4)17(23)15-13-21(11-7-8-12-22)16-10-6-5-9-14(15)16/h5-6,9-10,13,18,22H,7-8,11-12H2,1-4H3
InChIKeyFLRZCGZOXGSCNM-UHFFFAOYSA-N
XLogP4.28
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]pentanoic acid
CID 86268508
[1-(4-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 91736656
[1-[(2R)-2,3-dihydroxypropyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11681218
[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-(1,1,2,2,3,3,4,4,5,5-decadeuterio-5-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 169447606
[1-(2-hydroxypentyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 132989410
[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
N-(2-oxothiolan-3-yl)-5-[3-(2,2,3,3-tetramethylcyclopropanecarbonyl)indol-1-yl]pentanamide
CID 90464187
[1-(oxolan-3-ylmethyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11529923
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327930

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 11580465) is [1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CCCCO)c3ccccc23)C1(C)C.
What is the InChIKey of [1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is FLRZCGZOXGSCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-19(2)18(20(19,3)4)17(23)15-13-21(11-7-8-12-22)16-10-6-5-9-14(15)16/h5-6,9-10,13,18,22H,7-8,11-12H2,1-4H3.
What are the key properties of [1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 313.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxybutyl)indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 11580465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).