2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile

C12H20N2O — CID 65494248

IUPAC2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile
SMILESCC1(C)CN(CC2(CC#N)CC2)CCO1
InChIInChI=1S/C12H20N2O/c1-11(2)9-14(7-8-15-11)10-12(3-4-12)5-6-13/h3-5,7-10H2,1-2H3
InChIKeyZHVBINYLGHLOBQ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.79
Rot. Bonds3

About 2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 65494248) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile
PubChem CID65494248
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile
SMILESCC1(C)CN(CC2(CC#N)CC2)CCO1
InChIInChI=1S/C12H20N2O/c1-11(2)9-14(7-8-15-11)10-12(3-4-12)5-6-13/h3-5,7-10H2,1-2H3
InChIKeyZHVBINYLGHLOBQ-UHFFFAOYSA-N
XLogP1.79
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile (CID 65494248) is 2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile is CC1(C)CN(CC2(CC#N)CC2)CCO1.
What is the InChIKey of 2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is ZHVBINYLGHLOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(2)9-14(7-8-15-11)10-12(3-4-12)5-6-13/h3-5,7-10H2,1-2H3.
What are the key properties of 2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65494248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).