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

C11H18N4O — CID 107046958

IUPAC1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCC1CCCC(C(=O)Cc2nnn(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-8-4-3-5-9(6-8)10(16)7-11-12-14-15(2)13-11/h8-9H,3-7H2,1-2H3
InChIKeyRERBBMKLVCJPFO-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.15
Rot. Bonds3

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

1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107046958) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107046958
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCC1CCCC(C(=O)Cc2nnn(C)n2)C1
InChIInChI=1S/C11H18N4O/c1-8-4-3-5-9(6-8)10(16)7-11-12-14-15(2)13-11/h8-9H,3-7H2,1-2H3
InChIKeyRERBBMKLVCJPFO-UHFFFAOYSA-N
XLogP1.15
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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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Related Compounds

4-[(5-Cyclopropyltetrazol-2-yl)methyl]cyclohexan-1-one
CID 128353873
5,5-Dimethyl-2-[2-(2-methyl-2h-tetrazol-5-yl)acetyl]cyclohexane-1,3-dione
CID 156598418
5,5-Dimethyl-2-[2-(2-ethyl-2h-tetrazol-5-yl)acetyl]cyclohexane-1,3-dione
CID 156598444
2-[2-(2-Ethyl-2h-tetrazol-5-yl)acetyl]cyclohexane-1,3-dione
CID 163183551
2-(2-Methyltetrazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 107063267
2-(2-Methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 107063318
1-(4,4-Difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063622
2-(2-Methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 113912001
2-[(5-Methyltetrazol-2-yl)methyl]cyclohexan-1-one
CID 59088662
1-[4-(2H-tetrazol-5-yl)cyclohexyl]propan-1-one
CID 118218378
3-butyl-1-(2H-tetrazol-5-yl)nonan-2-one
CID 166851216
3-ethyl-1-(2H-tetrazol-5-yl)nonan-2-one
CID 169687901

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107046958) is 1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is CC1CCCC(C(=O)Cc2nnn(C)n2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is RERBBMKLVCJPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-4-3-5-9(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-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107046958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).