1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile

C12H21N3O — CID 79165770

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile
SMILESCCN1CCOC(CN2CCCC2C#N)C1
InChIInChI=1S/C12H21N3O/c1-2-14-6-7-16-12(9-14)10-15-5-3-4-11(15)8-13/h11-12H,2-7,9-10H2,1H3
InChIKeyHXKROJUGCMLJRL-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.70
Rot. Bonds3

About 1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile

1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile (PubChem CID 79165770) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile
PubChem CID79165770
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile
SMILESCCN1CCOC(CN2CCCC2C#N)C1
InChIInChI=1S/C12H21N3O/c1-2-14-6-7-16-12(9-14)10-15-5-3-4-11(15)8-13/h11-12H,2-7,9-10H2,1H3
InChIKeyHXKROJUGCMLJRL-UHFFFAOYSA-N
XLogP0.70
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 79171854
2-(4-ethylmorpholin-2-yl)acetonitrile
CID 79164435
2-[4-[(4-ethylmorpholin-2-yl)methyl]piperazin-1-yl]butanenitrile
CID 79165345
1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 79171537
2,4-diethylmorpholine
CID 58988021
N-cyclopropyl-1-[(4-ethylmorpholin-2-yl)methyl]piperidin-3-amine
CID 114401290
2-[(3-chloropyrrolidin-1-yl)methyl]-4-ethylmorpholine
CID 79182491
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-ylmethyl)-4-ethylmorpholine
CID 102682618
4-ethyl-2-propylmorpholine
CID 127673597
[4-[(4-ethylmorpholin-2-yl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213819
1-[(4-methylmorpholin-2-yl)methyl]piperazine-2-carbonitrile
CID 79183062
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbaldehyde
CID 79182828

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile (CID 79165770) is 1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile is CCN1CCOC(CN2CCCC2C#N)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile?
The InChIKey is HXKROJUGCMLJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-14-6-7-16-12(9-14)10-15-5-3-4-11(15)8-13/h11-12H,2-7,9-10H2,1H3.
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile?
1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile has a molecular weight of 223.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 79165770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).