1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone

C10H16N4O2 — CID 107047462

IUPAC1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOC1(C(=O)Cc2nnn(C)n2)CCCC1
InChIInChI=1S/C10H16N4O2/c1-14-12-9(11-13-14)7-8(15)10(16-2)5-3-4-6-10/h3-7H2,1-2H3
InChIKeyIIQBJTDTWRWREX-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.28
Rot. Bonds4

About 1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047462) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047462
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOC1(C(=O)Cc2nnn(C)n2)CCCC1
InChIInChI=1S/C10H16N4O2/c1-14-12-9(11-13-14)7-8(15)10(16-2)5-3-4-6-10/h3-7H2,1-2H3
InChIKeyIIQBJTDTWRWREX-UHFFFAOYSA-N
XLogP0.28
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047268
1-(2-Methyloxolan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047316
1-(2-Methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047353
1-(1-Methoxycyclobutyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047475
3-Methoxy-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047506
3-Ethoxy-3-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047509
3-Ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047511
3-Ethyl-3-methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047513
1-(1-Ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047516
1-(1-Methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047519
1-(1-Ethoxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047528
1-(1-Methoxy-3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047531

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047462) is 1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone is COC1(C(=O)Cc2nnn(C)n2)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is IIQBJTDTWRWREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14-12-9(11-13-14)7-8(15)10(16-2)5-3-4-6-10/h3-7H2,1-2H3.
What are the key properties of 1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 224.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).