2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde

C12H13NO — CID 112710892

IUPAC2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde
SMILESCc1cc(C)c2[nH]c(CC=O)cc2c1
InChIInChI=1S/C12H13NO/c1-8-5-9(2)12-10(6-8)7-11(13-12)3-4-14/h4-7,13H,3H2,1-2H3
InChIKeyVSMMBLXUBHDDJF-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.53
Rot. Bonds2

About 2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde

2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde (PubChem CID 112710892) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde
PubChem CID112710892
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde
SMILESCc1cc(C)c2[nH]c(CC=O)cc2c1
InChIInChI=1S/C12H13NO/c1-8-5-9(2)12-10(6-8)7-11(13-12)3-4-14/h4-7,13H,3H2,1-2H3
InChIKeyVSMMBLXUBHDDJF-UHFFFAOYSA-N
XLogP2.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(5,7-dimethyl-1H-indol-2-yl)propan-1-amine
CID 83859576
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
2-ethenyl-5,7-dimethyl-1H-indole
CID 121007476
5,7-dimethyl-2-(4-methylphenyl)-1H-indole
CID 131886944
(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)azanium
CID 7107761
6,8-dimethyl-1H-quinazolin-2-one
CID 163903053
2-(2,5-dimethylphenyl)-5,7-dimethyl-1H-indole
CID 131886954
2-(4-ethylphenyl)-5,7-dimethyl-1H-indole
CID 131886815
2-(5-hydroxy-1H-indol-2-yl)acetaldehyde
CID 22134437
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110326306
2-(2-methyl-1H-imidazol-5-yl)acetaldehyde
CID 87522878
2-(1,8-dihydroxy-3,6-dimethylnaphthalen-2-yl)acetaldehyde
CID 123744942

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde?
The IUPAC name of 2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde (CID 112710892) is 2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde?
The canonical SMILES for 2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde is Cc1cc(C)c2[nH]c(CC=O)cc2c1.
What is the InChIKey of 2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde?
The InChIKey is VSMMBLXUBHDDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-5-9(2)12-10(6-8)7-11(13-12)3-4-14/h4-7,13H,3H2,1-2H3.
What are the key properties of 2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde?
2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde has a molecular weight of 187.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-1H-indol-2-yl)acetaldehyde is sourced from PubChem (CID 112710892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).