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

C11H18N4O — CID 107047149

IUPAC1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCCCCC2)n1
InChIInChI=1S/C11H18N4O/c1-15-13-11(12-14-15)8-10(16)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3
InChIKeyXMRQOFBKFAKCMZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.29
Rot. Bonds3

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

1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047149) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047149
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCCCCC2)n1
InChIInChI=1S/C11H18N4O/c1-15-13-11(12-14-15)8-10(16)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3
InChIKeyXMRQOFBKFAKCMZ-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone (CID 107047149) is 1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CCCCCC2)n1.
What is the InChIKey of 1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is XMRQOFBKFAKCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-13-11(12-14-15)8-10(16)9-6-4-2-3-5-7-9/h9H,2-8H2,1H3.
What are the key properties of 1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone?
1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).