5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one

C16H20N2O — CID 58811933

IUPAC5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one
SMILESC=CCC1(CC=C)C(=O)N(CC)c2ccc(N)cc21
InChIInChI=1S/C16H20N2O/c1-4-9-16(10-5-2)13-11-12(17)7-8-14(13)18(6-3)15(16)19/h4-5,7-8,11H,1-2,6,9-10,17H2,3H3
InChIKeyWEDPIYNRMFPSMN-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.03
Rot. Bonds5

About 5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one

5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one (PubChem CID 58811933) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one.

Molecular Properties

Compound Name5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one
PubChem CID58811933
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one
SMILESC=CCC1(CC=C)C(=O)N(CC)c2ccc(N)cc21
InChIInChI=1S/C16H20N2O/c1-4-9-16(10-5-2)13-11-12(17)7-8-14(13)18(6-3)15(16)19/h4-5,7-8,11H,1-2,6,9-10,17H2,3H3
InChIKeyWEDPIYNRMFPSMN-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3,3-diethyl-1-prop-2-enylindol-2-one
CID 58811805
5-amino-1-ethyl-3,3-bis(methoxymethyl)indol-2-one
CID 58811864
5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84618269
5-amino-3,3-dimethyl-1-prop-2-enylindol-2-one
CID 58811953
5-(1-aminoethyl)-1-ethyl-3,3-dimethylindol-2-one
CID 82172369
1,2-diethyl-4,4-bis(prop-2-enyl)pyrazolidine-3,5-dione
CID 67259415
N-(1-ethyl-3,3-dimethyl-2-oxoindol-5-yl)formamide
CID 168651738
5,6-diamino-1-ethyl-3,3-dimethylindol-2-one;dihydrochloride
CID 70421420
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
6-amino-4,4-dimethyl-1-propyl-3,1-benzoxazin-2-one
CID 137385996
1,3,3-triethylpyrrolo[3,2-c]pyridin-2-one
CID 59565017

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one?
The IUPAC name of 5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one (CID 58811933) is 5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one.
What is the SMILES notation for 5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one?
The canonical SMILES for 5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one is C=CCC1(CC=C)C(=O)N(CC)c2ccc(N)cc21.
What is the InChIKey of 5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one?
The InChIKey is WEDPIYNRMFPSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-9-16(10-5-2)13-11-12(17)7-8-14(13)18(6-3)15(16)19/h4-5,7-8,11H,1-2,6,9-10,17H2,3H3.
What are the key properties of 5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one?
5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one has a molecular weight of 256.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one is sourced from PubChem (CID 58811933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).