2-(aminomethyl)-3H-isoindol-1-one

C9H10N2O — CID 143012246

IUPAC2-(aminomethyl)-3H-isoindol-1-one
SMILESNCN1Cc2ccccc2C1=O
InChIInChI=1S/C9H10N2O/c10-6-11-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5-6,10H2
InChIKeyKKCGHVZELFFJCT-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.56
Rot. Bonds1

About 2-(aminomethyl)-3H-isoindol-1-one

2-(aminomethyl)-3H-isoindol-1-one (PubChem CID 143012246) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(aminomethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3H-isoindol-1-one
PubChem CID143012246
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(aminomethyl)-3H-isoindol-1-one
SMILESNCN1Cc2ccccc2C1=O
InChIInChI=1S/C9H10N2O/c10-6-11-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5-6,10H2
InChIKeyKKCGHVZELFFJCT-UHFFFAOYSA-N
XLogP0.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
Phthalimidine
CID 10199
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
1,2,3,4,6,10B-Hexahydro-10B-phenylpyrimido(2,1-A)isoindol-6-one
CID 455111
N-(2-Methylallyl)-phthalimide
CID 231838
3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoic acid
CID 648461
N-Cyclohexylphthalimide
CID 225739

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3H-isoindol-1-one?
The IUPAC name of 2-(aminomethyl)-3H-isoindol-1-one (CID 143012246) is 2-(aminomethyl)-3H-isoindol-1-one.
What is the SMILES notation for 2-(aminomethyl)-3H-isoindol-1-one?
The canonical SMILES for 2-(aminomethyl)-3H-isoindol-1-one is NCN1Cc2ccccc2C1=O.
What is the InChIKey of 2-(aminomethyl)-3H-isoindol-1-one?
The InChIKey is KKCGHVZELFFJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-6-11-5-7-3-1-2-4-8(7)9(11)12/h1-4H,5-6,10H2.
What are the key properties of 2-(aminomethyl)-3H-isoindol-1-one?
2-(aminomethyl)-3H-isoindol-1-one has a molecular weight of 162.19 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3H-isoindol-1-one is sourced from PubChem (CID 143012246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).