5-amino-3,3-diethyl-1-prop-2-enylindol-2-one

C15H20N2O — CID 58811805

IUPAC5-amino-3,3-diethyl-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(CC)(CC)c2cc(N)ccc21
InChIInChI=1S/C15H20N2O/c1-4-9-17-13-8-7-11(16)10-12(13)15(5-2,6-3)14(17)18/h4,7-8,10H,1,5-6,9,16H2,2-3H3
InChIKeyNSHHVKLNYIEQPW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.86
Rot. Bonds4

About 5-amino-3,3-diethyl-1-prop-2-enylindol-2-one

5-amino-3,3-diethyl-1-prop-2-enylindol-2-one (PubChem CID 58811805) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-amino-3,3-diethyl-1-prop-2-enylindol-2-one.

Molecular Properties

Compound Name5-amino-3,3-diethyl-1-prop-2-enylindol-2-one
PubChem CID58811805
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-amino-3,3-diethyl-1-prop-2-enylindol-2-one
SMILESC=CCN1C(=O)C(CC)(CC)c2cc(N)ccc21
InChIInChI=1S/C15H20N2O/c1-4-9-17-13-8-7-11(16)10-12(13)15(5-2,6-3)14(17)18/h4,7-8,10H,1,5-6,9,16H2,2-3H3
InChIKeyNSHHVKLNYIEQPW-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.86
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-dimethyl-1-prop-2-enylindol-2-one
CID 58811953
5-amino-1-ethyl-3,3-bis(prop-2-enyl)indol-2-one
CID 58811933
5-amino-1-ethyl-3,3-bis(methoxymethyl)indol-2-one
CID 58811864
5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 24186
5'-amino-1'-ethylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84618269
5'-methyl-1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 690354
3-(hydroxymethyl)-1,3-bis(prop-2-enyl)indol-2-one
CID 132572570
3-hydroxy-3-methyl-1-prop-2-enylindol-2-one
CID 177313716
7-(aminomethyl)-2,2-dimethyl-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 82338731
6-amino-4,4-dimethyl-1-propyl-3,1-benzoxazin-2-one
CID 137385996
(4'aS,5R)-8'-amino-1-prop-2-enylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
CID 126418116
1'-prop-2-enylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036177

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,3-diethyl-1-prop-2-enylindol-2-one?
The IUPAC name of 5-amino-3,3-diethyl-1-prop-2-enylindol-2-one (CID 58811805) is 5-amino-3,3-diethyl-1-prop-2-enylindol-2-one.
What is the SMILES notation for 5-amino-3,3-diethyl-1-prop-2-enylindol-2-one?
The canonical SMILES for 5-amino-3,3-diethyl-1-prop-2-enylindol-2-one is C=CCN1C(=O)C(CC)(CC)c2cc(N)ccc21.
What is the InChIKey of 5-amino-3,3-diethyl-1-prop-2-enylindol-2-one?
The InChIKey is NSHHVKLNYIEQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-9-17-13-8-7-11(16)10-12(13)15(5-2,6-3)14(17)18/h4,7-8,10H,1,5-6,9,16H2,2-3H3.
What are the key properties of 5-amino-3,3-diethyl-1-prop-2-enylindol-2-one?
5-amino-3,3-diethyl-1-prop-2-enylindol-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,3-diethyl-1-prop-2-enylindol-2-one is sourced from PubChem (CID 58811805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).