(3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C13H19N3O2 — CID 171937522

IUPAC(3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1cncn1C)C2
InChIInChI=1S/C13H19N3O2/c1-15-8-14-5-12(15)13(17)9-3-10-6-18-7-11(4-9)16(10)2/h5,8-11H,3-4,6-7H2,1-2H3
InChIKeySYTJQJFZLQTLSW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.71
Rot. Bonds2

About (3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171937522) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171937522
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCN1C2COCC1CC(C(=O)c1cncn1C)C2
InChIInChI=1S/C13H19N3O2/c1-15-8-14-5-12(15)13(17)9-3-10-6-18-7-11(4-9)16(10)2/h5,8-11H,3-4,6-7H2,1-2H3
InChIKeySYTJQJFZLQTLSW-UHFFFAOYSA-N
XLogP0.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone with MolForge

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Related Compounds

Cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
CID 11624140
(1-Methyl-1H-imidazol-5-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 82895191
Butyl 4-(3-methylimidazole-4-carbonyl)piperidine-1-carboxylate
CID 90101863
(1,2-Dimethyl-1H-imidazol-5-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 118006250
1,9-Dioxaspiro[5.5]undecan-4-yl-(3-methylimidazol-4-yl)methanone
CID 82895295
(3-Methylimidazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 82896118
1-(3-Methylimidazol-4-yl)-2-(oxan-4-yl)ethanone
CID 82896205
(3-Methylimidazol-4-yl)-(oxan-3-yl)methanone
CID 107135989
[1-(2-Aminoethyl)imidazol-4-yl]-(oxan-3-yl)methanone
CID 107501335
1-[1-(2-Aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone
CID 107501660
3-(1-Methyl-1H-imidazole-4-carbonyl)oxan-4-one
CID 107972724
1-(1-Methylimidazol-4-yl)-2-(oxan-4-yl)ethanone
CID 107976680

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171937522) is (3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is CN1C2COCC1CC(C(=O)c1cncn1C)C2.
What is the InChIKey of (3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is SYTJQJFZLQTLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-8-14-5-12(15)13(17)9-3-10-6-18-7-11(4-9)16(10)2/h5,8-11H,3-4,6-7H2,1-2H3.
What are the key properties of (3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171937522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).