2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde

C11H17N3O — CID 88687878

IUPAC2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde
SMILESCCC1(C(C=O)n2cncn2)CCCC1
InChIInChI=1S/C11H17N3O/c1-2-11(5-3-4-6-11)10(7-15)14-9-12-8-13-14/h7-10H,2-6H2,1H3
InChIKeyMGZAZBCIWRXRFO-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.99
Rot. Bonds4

About 2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde

2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde (PubChem CID 88687878) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde
PubChem CID88687878
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde
SMILESCCC1(C(C=O)n2cncn2)CCCC1
InChIInChI=1S/C11H17N3O/c1-2-11(5-3-4-6-11)10(7-15)14-9-12-8-13-14/h7-10H,2-6H2,1H3
InChIKeyMGZAZBCIWRXRFO-UHFFFAOYSA-N
XLogP1.99
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde?
The IUPAC name of 2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde (CID 88687878) is 2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde is CCC1(C(C=O)n2cncn2)CCCC1.
What is the InChIKey of 2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde?
The InChIKey is MGZAZBCIWRXRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-11(5-3-4-6-11)10(7-15)14-9-12-8-13-14/h7-10H,2-6H2,1H3.
What are the key properties of 2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde?
2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde has a molecular weight of 207.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopentyl)-2-(1,2,4-triazol-1-yl)acetaldehyde is sourced from PubChem (CID 88687878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).