5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde

C10H12N2O — CID 82503449

IUPAC5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde
SMILESNCc1ccc2c(c1)CCN2C=O
InChIInChI=1S/C10H12N2O/c11-6-8-1-2-10-9(5-8)3-4-12(10)7-13/h1-2,5,7H,3-4,6,11H2
InChIKeyZPBJTTNJXXNBOI-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.66
Rot. Bonds2

About 5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde

5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde (PubChem CID 82503449) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde
PubChem CID82503449
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde
SMILESNCc1ccc2c(c1)CCN2C=O
InChIInChI=1S/C10H12N2O/c11-6-8-1-2-10-9(5-8)3-4-12(10)7-13/h1-2,5,7H,3-4,6,11H2
InChIKeyZPBJTTNJXXNBOI-UHFFFAOYSA-N
XLogP0.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-1-carbaldehyde
CID 135142567
5-hydroxy-2,3-dihydroindole-1-carbaldehyde
CID 119090717
1-formyl-2,3-dihydroindole-5-sulfonamide
CID 89385398
1-formyl-2,3-dihydroindole-5-carboxylic acid
CID 61147748
(1-cyclobutyl-2,3-dihydroindol-5-yl)methanamine
CID 115115080
(1-cyclopentyl-2,3-dihydroindol-5-yl)methanamine
CID 115115353
1-amino-3-(1-methyl-2,3-dihydroindol-5-yl)propan-2-one
CID 82506730
6-(aminomethyl)-2-methyl-3,4-dihydroisoquinolin-1-one
CID 129139598
6-(aminomethyl)-1-(sulfanylmethyl)-3,4-dihydroquinolin-2-one
CID 115227916
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769
2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63095254
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde?
The IUPAC name of 5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde (CID 82503449) is 5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde.
What is the SMILES notation for 5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde?
The canonical SMILES for 5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde is NCc1ccc2c(c1)CCN2C=O.
What is the InChIKey of 5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde?
The InChIKey is ZPBJTTNJXXNBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-6-8-1-2-10-9(5-8)3-4-12(10)7-13/h1-2,5,7H,3-4,6,11H2.
What are the key properties of 5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde?
5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-dihydroindole-1-carbaldehyde is sourced from PubChem (CID 82503449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).