5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one

C15H22N2O — CID 82172288

IUPAC5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one
SMILESCCC(N)c1ccc2c(c1)C(CC)C(=O)N2CC
InChIInChI=1S/C15H22N2O/c1-4-11-12-9-10(13(16)5-2)7-8-14(12)17(6-3)15(11)18/h7-9,11,13H,4-6,16H2,1-3H3
InChIKeySFGUYJNBDSXXOM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.96
Rot. Bonds4

About 5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one

5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one (PubChem CID 82172288) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one
PubChem CID82172288
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one
SMILESCCC(N)c1ccc2c(c1)C(CC)C(=O)N2CC
InChIInChI=1S/C15H22N2O/c1-4-11-12-9-10(13(16)5-2)7-8-14(12)17(6-3)15(11)18/h7-9,11,13H,4-6,16H2,1-3H3
InChIKeySFGUYJNBDSXXOM-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-aminobutyl)-1,3-diethyl-3H-indol-2-one
CID 82172290
5-(1-amino-2-methylbutyl)-1,3-diethyl-3H-indol-2-one
CID 82172293
1,3-diethyl-5-[hydroxy-(4-methylphenyl)methyl]-3H-indol-2-one
CID 82172314
5-(1-amino-2-methoxyethyl)-3-ethyl-1-methyl-3H-indol-2-one
CID 82172252
5-(1-amino-2-methylpropyl)-1-ethyl-3-methyl-3H-indol-2-one
CID 82172165
5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912718
6-(1-amino-3-methylbutyl)-4-ethyl-2-methyl-1,4-benzoxazin-3-one
CID 82028534
6-(1-aminopropyl)-2-ethyl-4-(2-methylprop-2-enyl)-1,4-benzoxazin-3-one
CID 82025915
(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367906
(3S)-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 51539737
2-[6-(1-aminopropyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 82025884
1-ethyl-5-fluoro-3-(methylamino)-3H-indol-2-one
CID 82235288

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one?
The IUPAC name of 5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one (CID 82172288) is 5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one?
The canonical SMILES for 5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one is CCC(N)c1ccc2c(c1)C(CC)C(=O)N2CC.
What is the InChIKey of 5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one?
The InChIKey is SFGUYJNBDSXXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-11-12-9-10(13(16)5-2)7-8-14(12)17(6-3)15(11)18/h7-9,11,13H,4-6,16H2,1-3H3.
What are the key properties of 5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one?
5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminopropyl)-1,3-diethyl-3H-indol-2-one is sourced from PubChem (CID 82172288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).