2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile

C11H15N3O — CID 20529962

IUPAC2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile
SMILESCn1cccc1C(C#N)N1CCOCC1
InChIInChI=1S/C11H15N3O/c1-13-4-2-3-10(13)11(9-12)14-5-7-15-8-6-14/h2-4,11H,5-8H2,1H3
InChIKeyKHQGEVFREDKMRW-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.92
Rot. Bonds2

About 2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile

2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile (PubChem CID 20529962) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile
PubChem CID20529962
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile
SMILESCn1cccc1C(C#N)N1CCOCC1
InChIInChI=1S/C11H15N3O/c1-13-4-2-3-10(13)11(9-12)14-5-7-15-8-6-14/h2-4,11H,5-8H2,1H3
InChIKeyKHQGEVFREDKMRW-UHFFFAOYSA-N
XLogP0.92
TPSA41.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile (CID 20529962) is 2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile is Cn1cccc1C(C#N)N1CCOCC1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile?
The InChIKey is KHQGEVFREDKMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-4-2-3-10(13)11(9-12)14-5-7-15-8-6-14/h2-4,11H,5-8H2,1H3.
What are the key properties of 2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile?
2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile has a molecular weight of 205.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 20529962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).