1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone

C11H18N4O — CID 107047164

IUPAC1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCC1CCC(C(=O)Cc2nnn(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-3-8-4-5-9(6-8)10(16)7-11-12-14-15(2)13-11/h8-9H,3-7H2,1-2H3
InChIKeyALLKOMXYBPKIQQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.15
Rot. Bonds4

About 1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047164) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047164
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCC1CCC(C(=O)Cc2nnn(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-3-8-4-5-9(6-8)10(16)7-11-12-14-15(2)13-11/h8-9H,3-7H2,1-2H3
InChIKeyALLKOMXYBPKIQQ-UHFFFAOYSA-N
XLogP1.15
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047164) is 1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone is CCC1CCC(C(=O)Cc2nnn(C)n2)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is ALLKOMXYBPKIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-8-4-5-9(6-8)10(16)7-11-12-14-15(2)13-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).