2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone

C19H26N2O2 — CID 120794020

IUPAC2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
SMILESNC(C(=O)N1CC2(CCCC2)c2ccccc21)C1CCOCC1
InChIInChI=1S/C19H26N2O2/c20-17(14-7-11-23-12-8-14)18(22)21-13-19(9-3-4-10-19)15-5-1-2-6-16(15)21/h1-2,5-6,14,17H,3-4,7-13,20H2
InChIKeyFGUPMCOWYBARDF-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.60
Rot. Bonds2

About 2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone

2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone (PubChem CID 120794020) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
PubChem CID120794020
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
SMILESNC(C(=O)N1CC2(CCCC2)c2ccccc21)C1CCOCC1
InChIInChI=1S/C19H26N2O2/c20-17(14-7-11-23-12-8-14)18(22)21-13-19(9-3-4-10-19)15-5-1-2-6-16(15)21/h1-2,5-6,14,17H,3-4,7-13,20H2
InChIKeyFGUPMCOWYBARDF-UHFFFAOYSA-N
XLogP2.60
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone
CID 120791268
3-amino-2-methyl-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one;hydrochloride
CID 120501177
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
4-amino-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylpentan-1-one;hydrochloride
CID 120562983
2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
CID 120792528
2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride
CID 120990520
2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
CID 122065639
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone
CID 126809281
[(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
CID 99829191
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
The IUPAC name of 2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone (CID 120794020) is 2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone is NC(C(=O)N1CC2(CCCC2)c2ccccc21)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
The InChIKey is FGUPMCOWYBARDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c20-17(14-7-11-23-12-8-14)18(22)21-13-19(9-3-4-10-19)15-5-1-2-6-16(15)21/h1-2,5-6,14,17H,3-4,7-13,20H2.
What are the key properties of 2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone?
2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone has a molecular weight of 314.43 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone is sourced from PubChem (CID 120794020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).