3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one

C11H16N2O — CID 13469996

IUPAC3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one
SMILESCC(C)N1C(=O)C(N)=C2CCCC=C21
InChIInChI=1S/C11H16N2O/c1-7(2)13-9-6-4-3-5-8(9)10(12)11(13)14/h6-7H,3-5,12H2,1-2H3
InChIKeyJMUDJDQYJHNFTB-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.52
Rot. Bonds1

About 3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one

3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one (PubChem CID 13469996) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one
PubChem CID13469996
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one
SMILESCC(C)N1C(=O)C(N)=C2CCCC=C21
InChIInChI=1S/C11H16N2O/c1-7(2)13-9-6-4-3-5-8(9)10(12)11(13)14/h6-7H,3-5,12H2,1-2H3
InChIKeyJMUDJDQYJHNFTB-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(difluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 119054877
3-Amino-1-cyclohexyl-4-methyl-6-(trifluoromethyl)pyridin-2-one
CID 167641664
3-(Cyclohexylamino)-1,4,5,6-tetrahydro-indol-2-one
CID 10513774
3-(cyclohexylamino)-1-(4-iodobutyl)-5,6-dihydro-4H-indol-2-one
CID 10645439
1-methyl-3-(2-oxo-1-propan-2-yl-5,6-dihydro-4H-indol-3-yl)urea
CID 13469997
1,6-Ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one
CID 20773195
3-Amino-1-heptyl-4-methylpyridin-2-one
CID 21706475
3-Amino-4-methyl-1-pentylpyridin-2-one
CID 21706495
3-Amino-1-hexyl-4-methylpyridin-2-one
CID 21706551
3-Amino-1-butyl-5,6-dimethyl-2-pyridone
CID 22266463
3-Amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one
CID 22266485
6-methyl-4-(1-methylpyrrolidin-2-yl)-1H-pyridin-2-one
CID 117707453

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one?
The IUPAC name of 3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one (CID 13469996) is 3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one.
What is the SMILES notation for 3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one?
The canonical SMILES for 3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one is CC(C)N1C(=O)C(N)=C2CCCC=C21.
What is the InChIKey of 3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one?
The InChIKey is JMUDJDQYJHNFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)13-9-6-4-3-5-8(9)10(12)11(13)14/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one?
3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-propan-2-yl-5,6-dihydro-4H-indol-2-one is sourced from PubChem (CID 13469996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).