5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one

C11H16N4O — CID 115119380

IUPAC5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one
SMILESNCC(N)CNc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H16N4O/c12-5-8(13)6-14-9-1-2-10-7(3-9)4-11(16)15-10/h1-3,8,14H,4-6,12-13H2,(H,15,16)
InChIKeyWISQFWOJSKCHLE-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.12
Rot. Bonds4

About 5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one

5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one (PubChem CID 115119380) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one
PubChem CID115119380
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one
SMILESNCC(N)CNc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H16N4O/c12-5-8(13)6-14-9-1-2-10-7(3-9)4-11(16)15-10/h1-3,8,14H,4-6,12-13H2,(H,15,16)
InChIKeyWISQFWOJSKCHLE-UHFFFAOYSA-N
XLogP-0.12
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 115119383
5-[[3-methyl-2-(methylaminomethyl)butyl]amino]-1,3-dihydroindol-2-one
CID 115252675
3-amino-2-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 115180257
5-[(1-amino-3-methylbutan-2-yl)amino]-1,3-dihydroindol-2-one
CID 115137893
5-(2-sulfanylethylamino)-1,3-dihydroindol-2-one
CID 115223650
2-[(2-oxo-1,3-dihydroindol-5-yl)amino]acetonitrile
CID 115130733
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 119281522
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)pentanamide
CID 115156546
(2R)-2-amino-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide;hydrochloride
CID 119281521
4-amino-N-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 22690108
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
7-amino-N-(2-oxo-1,3-dihydroindol-5-yl)heptanamide
CID 119709201

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one (CID 115119380) is 5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one is NCC(N)CNc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one?
The InChIKey is WISQFWOJSKCHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-5-8(13)6-14-9-1-2-10-7(3-9)4-11(16)15-10/h1-3,8,14H,4-6,12-13H2,(H,15,16).
What are the key properties of 5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one?
5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one has a molecular weight of 220.28 g/mol, XLogP of -0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-diaminopropylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 115119380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).