3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one

C11H14N2O — CID 163815026

IUPAC3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one
SMILESCC(C)c1ccc2c(c1)C(=O)NC2N
InChIInChI=1S/C11H14N2O/c1-6(2)7-3-4-8-9(5-7)11(14)13-10(8)12/h3-6,10H,12H2,1-2H3,(H,13,14)
InChIKeyNQOKHWTVEXZRLB-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.51
Rot. Bonds1

About 3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one

3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one (PubChem CID 163815026) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one
PubChem CID163815026
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one
SMILESCC(C)c1ccc2c(c1)C(=O)NC2N
InChIInChI=1S/C11H14N2O/c1-6(2)7-3-4-8-9(5-7)11(14)13-10(8)12/h3-6,10H,12H2,1-2H3,(H,13,14)
InChIKeyNQOKHWTVEXZRLB-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59191690
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2,8-di(propan-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
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4-amino-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;hydrochloride
CID 71695515
2-(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-1,3-dioxolane
CID 170874182
4,4-difluoro-7-propan-2-yl-2,3-dihydroisoquinolin-1-one
CID 164878038
10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one
CID 145450986
6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275604
3,3-dimethyl-6-propan-2-yl-2H-inden-1-one
CID 79837737
(2R)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 34364364
1-oxo-6-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 61287502
N,N-dimethyl-3-oxo-5-propan-2-yl-1,2-dihydroindene-1-carboxamide
CID 82159441

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one (CID 163815026) is 3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one is CC(C)c1ccc2c(c1)C(=O)NC2N.
What is the InChIKey of 3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one?
The InChIKey is NQOKHWTVEXZRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-6(2)7-3-4-8-9(5-7)11(14)13-10(8)12/h3-6,10H,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one?
3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one has a molecular weight of 190.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-propan-2-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 163815026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).