2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde

C13H14N2O — CID 129229248

IUPAC2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde
SMILESCc1nn(CC=O)c2ccc(C3CC3)cc12
InChIInChI=1S/C13H14N2O/c1-9-12-8-11(10-2-3-10)4-5-13(12)15(14-9)6-7-16/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyFNUGAKIFAAPGMP-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.42
Rot. Bonds3

About 2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde

2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde (PubChem CID 129229248) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde
PubChem CID129229248
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde
SMILESCc1nn(CC=O)c2ccc(C3CC3)cc12
InChIInChI=1S/C13H14N2O/c1-9-12-8-11(10-2-3-10)4-5-13(12)15(14-9)6-7-16/h4-5,7-8,10H,2-3,6H2,1H3
InChIKeyFNUGAKIFAAPGMP-UHFFFAOYSA-N
XLogP2.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-cyclopropyl-3-methylindazol-1-yl)acetaldehyde?
The IUPAC name of 2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde (CID 129229248) is 2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde is Cc1nn(CC=O)c2ccc(C3CC3)cc12.
What is the InChIKey of 2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde?
The InChIKey is FNUGAKIFAAPGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-12-8-11(10-2-3-10)4-5-13(12)15(14-9)6-7-16/h4-5,7-8,10H,2-3,6H2,1H3.
What are the key properties of 2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde?
2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde is sourced from PubChem (CID 129229248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).