1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone

C9H14N4O — CID 107063428

IUPAC1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CC2(C)C)n1
InChIInChI=1S/C9H14N4O/c1-9(2)5-6(9)7(14)4-8-10-12-13(3)11-8/h6H,4-5H2,1-3H3
InChIKeyDQRKZMFNXMDFCB-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.37
Rot. Bonds3

About 1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063428) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063428
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CC2(C)C)n1
InChIInChI=1S/C9H14N4O/c1-9(2)5-6(9)7(14)4-8-10-12-13(3)11-8/h6H,4-5H2,1-3H3
InChIKeyDQRKZMFNXMDFCB-UHFFFAOYSA-N
XLogP0.37
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063428) is 1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CC2(C)C)n1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is DQRKZMFNXMDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-9(2)5-6(9)7(14)4-8-10-12-13(3)11-8/h6H,4-5H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 194.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).