4-benzylmorpholine-2-carbonitrile

C12H14N2O — CID 15651195

IUPAC4-benzylmorpholine-2-carbonitrile
SMILESN#CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C12H14N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
InChIKeyNAWYNSSXFPEQKE-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.41
Rot. Bonds2

About 4-benzylmorpholine-2-carbonitrile

4-benzylmorpholine-2-carbonitrile (PubChem CID 15651195) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-benzylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-benzylmorpholine-2-carbonitrile
PubChem CID15651195
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-benzylmorpholine-2-carbonitrile
SMILESN#CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C12H14N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
InChIKeyNAWYNSSXFPEQKE-UHFFFAOYSA-N
XLogP1.41
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzylmorpholine-2-carbonitrile?
The IUPAC name of 4-benzylmorpholine-2-carbonitrile (CID 15651195) is 4-benzylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-benzylmorpholine-2-carbonitrile?
The canonical SMILES for 4-benzylmorpholine-2-carbonitrile is N#CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 4-benzylmorpholine-2-carbonitrile?
The InChIKey is NAWYNSSXFPEQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2.
What are the key properties of 4-benzylmorpholine-2-carbonitrile?
4-benzylmorpholine-2-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylmorpholine-2-carbonitrile is sourced from PubChem (CID 15651195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).