2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde

C14H17NO — CID 115006226

IUPAC2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde
SMILESCc1ccc2c(c1)c(CC=O)cn2C(C)C
InChIInChI=1S/C14H17NO/c1-10(2)15-9-12(6-7-16)13-8-11(3)4-5-14(13)15/h4-5,7-10H,6H2,1-3H3
InChIKeyQPFIILRURASKSG-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.27
Rot. Bonds3

About 2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde

2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde (PubChem CID 115006226) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde
PubChem CID115006226
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde
SMILESCc1ccc2c(c1)c(CC=O)cn2C(C)C
InChIInChI=1S/C14H17NO/c1-10(2)15-9-12(6-7-16)13-8-11(3)4-5-14(13)15/h4-5,7-10H,6H2,1-3H3
InChIKeyQPFIILRURASKSG-UHFFFAOYSA-N
XLogP3.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde (CID 115006226) is 2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde is Cc1ccc2c(c1)c(CC=O)cn2C(C)C.
What is the InChIKey of 2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde?
The InChIKey is QPFIILRURASKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10(2)15-9-12(6-7-16)13-8-11(3)4-5-14(13)15/h4-5,7-10H,6H2,1-3H3.
What are the key properties of 2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde?
2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde has a molecular weight of 215.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-propan-2-ylindol-3-yl)acetaldehyde is sourced from PubChem (CID 115006226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).