(1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone

C11H16N2O2 — CID 80690249

IUPAC(1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
SMILESCn1ccnc1C(=O)C1(C)CCCCO1
InChIInChI=1S/C11H16N2O2/c1-11(5-3-4-8-15-11)9(14)10-12-6-7-13(10)2/h6-7H,3-5,8H2,1-2H3
InChIKeyOXPUAXPFMUAGMT-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.56
Rot. Bonds2

About (1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone

(1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone (PubChem CID 80690249) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
PubChem CID80690249
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone
SMILESCn1ccnc1C(=O)C1(C)CCCCO1
InChIInChI=1S/C11H16N2O2/c1-11(5-3-4-8-15-11)9(14)10-12-6-7-13(10)2/h6-7H,3-5,8H2,1-2H3
InChIKeyOXPUAXPFMUAGMT-UHFFFAOYSA-N
XLogP1.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone?
The IUPAC name of (1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone (CID 80690249) is (1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone is Cn1ccnc1C(=O)C1(C)CCCCO1.
What is the InChIKey of (1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone?
The InChIKey is OXPUAXPFMUAGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(5-3-4-8-15-11)9(14)10-12-6-7-13(10)2/h6-7H,3-5,8H2,1-2H3.
What are the key properties of (1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone?
(1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(2-methyloxan-2-yl)methanone is sourced from PubChem (CID 80690249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).