(3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

C15H22N2O2 — CID 82896118

IUPAC(3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESCn1cncc1C(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H22N2O2/c1-17-11-16-10-13(17)14(18)12-5-8-19-15(9-12)6-3-2-4-7-15/h10-12H,2-9H2,1H3
InChIKeyYTBYLIREGGKMRR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.73
Rot. Bonds2

About (3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone

(3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 82896118) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
PubChem CID82896118
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
SMILESCn1cncc1C(=O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H22N2O2/c1-17-11-16-10-13(17)14(18)12-5-8-19-15(9-12)6-3-2-4-7-15/h10-12H,2-9H2,1H3
InChIKeyYTBYLIREGGKMRR-UHFFFAOYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of (3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone (CID 82896118) is (3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is Cn1cncc1C(=O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of (3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is YTBYLIREGGKMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-11-16-10-13(17)14(18)12-5-8-19-15(9-12)6-3-2-4-7-15/h10-12H,2-9H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone?
(3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 82896118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).