3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde

C10H11NO — CID 117204054

IUPAC3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde
SMILESCC1CNc2c(C=O)cccc21
InChIInChI=1S/C10H11NO/c1-7-5-11-10-8(6-12)3-2-4-9(7)10/h2-4,6-7,11H,5H2,1H3
InChIKeyCBJFBMSIQSGOCI-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.03
Rot. Bonds1

About 3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde

3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde (PubChem CID 117204054) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde
PubChem CID117204054
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde
SMILESCC1CNc2c(C=O)cccc21
InChIInChI=1S/C10H11NO/c1-7-5-11-10-8(6-12)3-2-4-9(7)10/h2-4,6-7,11H,5H2,1H3
InChIKeyCBJFBMSIQSGOCI-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.03
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

(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 125041401
3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 117204169
7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole
CID 118511571
O-[(3-methyl-2,3-dihydro-1H-indol-7-yl)methyl]hydroxylamine
CID 117204086
1-(3-methyl-2,3-dihydro-1H-indol-7-yl)propan-2-ol
CID 117204028
3-cyclohexyl-2-methylbenzaldehyde
CID 15107628
2-cyclodecylbenzaldehyde
CID 142358507
1-methoxy-2,3-dihydro-1H-indene-4-carbaldehyde
CID 88980430
N-(2,5-dichloropyrimidin-4-yl)-3-methyl-2,3-dihydro-1H-indol-7-amine
CID 167014608
3-(1,3-dioxan-2-yl)-2-methylbenzaldehyde
CID 91416344
(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole
CID 95430864
2-(2-methoxy-3-methylcyclopentyl)benzaldehyde
CID 88745680

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde?
The IUPAC name of 3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde (CID 117204054) is 3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde.
What is the SMILES notation for 3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde?
The canonical SMILES for 3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde is CC1CNc2c(C=O)cccc21.
What is the InChIKey of 3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde?
The InChIKey is CBJFBMSIQSGOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-5-11-10-8(6-12)3-2-4-9(7)10/h2-4,6-7,11H,5H2,1H3.
What are the key properties of 3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde?
3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde is sourced from PubChem (CID 117204054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).