(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone

C14H20N2O2 — CID 71925772

IUPAC(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H20N2O2/c1-10-13(6-8-18-10)14(17)16-7-5-11-3-4-12(9-16)15(11)2/h6,8,11-12H,3-5,7,9H2,1-2H3
InChIKeyAWCQOQOBVOIDMC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.90
Rot. Bonds1

About (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone

(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone (PubChem CID 71925772) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone
PubChem CID71925772
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2CCC(C1)N2C
InChIInChI=1S/C14H20N2O2/c1-10-13(6-8-18-10)14(17)16-7-5-11-3-4-12(9-16)15(11)2/h6,8,11-12H,3-5,7,9H2,1-2H3
InChIKeyAWCQOQOBVOIDMC-UHFFFAOYSA-N
XLogP1.90
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone (CID 71925772) is (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCC2CCC(C1)N2C.
What is the InChIKey of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone?
The InChIKey is AWCQOQOBVOIDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-13(6-8-18-10)14(17)16-7-5-11-3-4-12(9-16)15(11)2/h6,8,11-12H,3-5,7,9H2,1-2H3.
What are the key properties of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone?
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 71925772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).