4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile

C11H12N2O3 — CID 78945652

IUPAC4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
SMILESCc1occc1C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C11H12N2O3/c1-8-10(2-4-15-8)11(14)13-3-5-16-9(6-12)7-13/h2,4,9H,3,5,7H2,1H3
InChIKeyMCMRQSMALOJKJK-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.95
Rot. Bonds1

About 4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile

4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile (PubChem CID 78945652) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
PubChem CID78945652
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
SMILESCc1occc1C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C11H12N2O3/c1-8-10(2-4-15-8)11(14)13-3-5-16-9(6-12)7-13/h2,4,9H,3,5,7H2,1H3
InChIKeyMCMRQSMALOJKJK-UHFFFAOYSA-N
XLogP0.95
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile (CID 78945652) is 4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile is Cc1occc1C(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile?
The InChIKey is MCMRQSMALOJKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-8-10(2-4-15-8)11(14)13-3-5-16-9(6-12)7-13/h2,4,9H,3,5,7H2,1H3.
What are the key properties of 4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile?
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile has a molecular weight of 220.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).