2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde

C14H17NO2 — CID 115006203

IUPAC2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
SMILESCOc1cccc2cc(CC=O)n(C(C)C)c12
InChIInChI=1S/C14H17NO2/c1-10(2)15-12(7-8-16)9-11-5-4-6-13(17-3)14(11)15/h4-6,8-10H,7H2,1-3H3
InChIKeyJDZALORYPUVEHY-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.97
Rot. Bonds4

About 2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde

2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde (PubChem CID 115006203) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
PubChem CID115006203
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
SMILESCOc1cccc2cc(CC=O)n(C(C)C)c12
InChIInChI=1S/C14H17NO2/c1-10(2)15-12(7-8-16)9-11-5-4-6-13(17-3)14(11)15/h4-6,8-10H,7H2,1-3H3
InChIKeyJDZALORYPUVEHY-UHFFFAOYSA-N
XLogP2.97
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194619
1-(7-methoxy-1-propan-2-ylindol-2-yl)propan-2-ol
CID 117197151
2-ethyl-7-methoxy-1-methylindole
CID 84662166
2-(4-methyl-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194359
4-methoxy-1-propan-2-ylindole-2-carbaldehyde
CID 83917293
2-[1-propan-2-yl-4-(trifluoromethyl)indol-2-yl]acetaldehyde
CID 117194285
2-(4-bromo-1-propan-2-ylindol-2-yl)acetaldehyde
CID 117194499
2-(8-methoxy-2-oxoquinolin-1-yl)butanoic acid
CID 67540357
7-methoxy-1-(2-methoxyethyl)indole-2-carbaldehyde
CID 170344098
2-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197178
2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
CID 117197220
3-(2-aminopropyl)-8-methoxy-1-methylquinolin-2-one
CID 84632285

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde?
The IUPAC name of 2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde (CID 115006203) is 2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde?
The canonical SMILES for 2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde is COc1cccc2cc(CC=O)n(C(C)C)c12.
What is the InChIKey of 2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde?
The InChIKey is JDZALORYPUVEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)15-12(7-8-16)9-11-5-4-6-13(17-3)14(11)15/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde?
2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde has a molecular weight of 231.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1-propan-2-ylindol-2-yl)acetaldehyde is sourced from PubChem (CID 115006203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).