1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile

C11H17N3O2 — CID 79071401

IUPAC1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile
SMILESCN1CCOC(CN2CC(C#N)CC2=O)C1
InChIInChI=1S/C11H17N3O2/c1-13-2-3-16-10(7-13)8-14-6-9(5-12)4-11(14)15/h9-10H,2-4,6-8H2,1H3
InChIKeyQXMVZUOKCWUKCK-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.31
Rot. Bonds2

About 1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile

1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile (PubChem CID 79071401) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile
PubChem CID79071401
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile
SMILESCN1CCOC(CN2CC(C#N)CC2=O)C1
InChIInChI=1S/C11H17N3O2/c1-13-2-3-16-10(7-13)8-14-6-9(5-12)4-11(14)15/h9-10H,2-4,6-8H2,1H3
InChIKeyQXMVZUOKCWUKCK-UHFFFAOYSA-N
XLogP-0.31
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile (CID 79071401) is 1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile is CN1CCOC(CN2CC(C#N)CC2=O)C1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is QXMVZUOKCWUKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-2-3-16-10(7-13)8-14-6-9(5-12)4-11(14)15/h9-10H,2-4,6-8H2,1H3.
What are the key properties of 1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile?
1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methyl]-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 79071401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).