3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one

C10H12N2O2 — CID 82075718

IUPAC3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one
SMILESCOc1cccc2c1NC(=O)C2CN
InChIInChI=1S/C10H12N2O2/c1-14-8-4-2-3-6-7(5-11)10(13)12-9(6)8/h2-4,7H,5,11H2,1H3,(H,12,13)
InChIKeyWCYIPBLOAZINQE-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.69
Rot. Bonds2

About 3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one

3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one (PubChem CID 82075718) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one
PubChem CID82075718
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one
SMILESCOc1cccc2c1NC(=O)C2CN
InChIInChI=1S/C10H12N2O2/c1-14-8-4-2-3-6-7(5-11)10(13)12-9(6)8/h2-4,7H,5,11H2,1H3,(H,12,13)
InChIKeyWCYIPBLOAZINQE-UHFFFAOYSA-N
XLogP0.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1,1a,3,7b-tetrahydrocyclopropa[c]quinolin-2-one
CID 169499137
3-(aminomethyl)-6-methoxy-1,3-dihydroindol-2-one
CID 53407740
7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912363
3-ethyl-5-methoxy-3,4-dihydro-1H-quinoxalin-2-one
CID 84620706
3-[(2-chloro-4,5-dimethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912372
6-methoxy-4-oxo-3,3a,5,9b-tetrahydro-1H-pyrrolo[3,4-c]quinoline-2-carboxylic acid
CID 69054465
8-methoxy-4-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 84620678
3-[(3-chloro-4,5-dimethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912793
methyl 2-(7-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetate
CID 122369713
3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one
CID 63555300
(5-methoxy-3,4-dimethyl-9H-fluoren-9-yl)methanamine
CID 82579412
(5R)-5-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 94255380

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one?
The IUPAC name of 3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one (CID 82075718) is 3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one is COc1cccc2c1NC(=O)C2CN.
What is the InChIKey of 3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one?
The InChIKey is WCYIPBLOAZINQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-8-4-2-3-6-7(5-11)10(13)12-9(6)8/h2-4,7H,5,11H2,1H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one?
3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 82075718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).