3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one

C17H22N2O — CID 170065238

IUPAC3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one
SMILESNCCC1(CCC=C2CCC2)C(=O)Nc2ccccc21
InChIInChI=1S/C17H22N2O/c18-12-11-17(10-4-7-13-5-3-6-13)14-8-1-2-9-15(14)19-16(17)20/h1-2,7-9H,3-6,10-12,18H2,(H,19,20)
InChIKeyQBDZOZGCBNDKEQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.12
Rot. Bonds5

About 3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one

3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one (PubChem CID 170065238) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one
PubChem CID170065238
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one
SMILESNCCC1(CCC=C2CCC2)C(=O)Nc2ccccc21
InChIInChI=1S/C17H22N2O/c18-12-11-17(10-4-7-13-5-3-6-13)14-8-1-2-9-15(14)19-16(17)20/h1-2,7-9H,3-6,10-12,18H2,(H,19,20)
InChIKeyQBDZOZGCBNDKEQ-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(3S)-3-(2-aminoethyl)-2-oxo-1H-indol-3-yl]piperidine-1-carbonitrile
CID 166761498
CID 146949857
CID 146949857
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
CID 139218215
N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
CID 134073266
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
(3R)-3-amino-3-ethenyl-1H-indol-2-one
CID 130731413
3-methyl-3-[(1R)-2-oxocyclohexyl]-1H-indol-2-one
CID 102208917
3,3-dichloro-1H-indol-2-one
CID 719018
spiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
CID 15554858

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one?
The IUPAC name of 3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one (CID 170065238) is 3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one is NCCC1(CCC=C2CCC2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one?
The InChIKey is QBDZOZGCBNDKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-12-11-17(10-4-7-13-5-3-6-13)14-8-1-2-9-15(14)19-16(17)20/h1-2,7-9H,3-6,10-12,18H2,(H,19,20).
What are the key properties of 3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one?
3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-3-(3-cyclobutylidenepropyl)-1H-indol-2-one is sourced from PubChem (CID 170065238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).