2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide

C10H10BrNO2 — CID 174877397

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
SMILESBr.O=CC(=O)C1CNc2ccccc21
InChIInChI=1S/C10H9NO2.BrH/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9;/h1-4,6,8,11H,5H2;1H
InChIKeyOYPOTPGLCYEELJ-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.54
Rot. Bonds2

About 2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide

2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide (PubChem CID 174877397) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
PubChem CID174877397
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide
SMILESBr.O=CC(=O)C1CNc2ccccc21
InChIInChI=1S/C10H9NO2.BrH/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9;/h1-4,6,8,11H,5H2;1H
InChIKeyOYPOTPGLCYEELJ-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,3-dihydro-1H-indole-3-carboxylate
CID 45073772
(2-chlorophenyl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 116594499
N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565251
2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
CID 80566211
N-methyl-N-pyridin-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106935099
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80566287
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80567177
ethyl (3S)-2,3-dihydro-1H-indole-3-carboxylate;hydrochloride
CID 172907953
N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80563634
N-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565255
2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid
CID 80565595
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide (CID 174877397) is 2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide is Br.O=CC(=O)C1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide?
The InChIKey is OYPOTPGLCYEELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.BrH/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9;/h1-4,6,8,11H,5H2;1H.
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide?
2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide has a molecular weight of 256.10 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetaldehyde;hydrobromide is sourced from PubChem (CID 174877397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).