4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile

C8H11ClN2O — CID 78946253

IUPAC4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC=CCl)CCO1
InChIInChI=1S/C8H11ClN2O/c9-2-1-3-11-4-5-12-8(6-10)7-11/h1-2,8H,3-5,7H2
InChIKeySSZXQNLVRPVINO-UHFFFAOYSA-N
MW186.64 g/mol
LogP0.96
Rot. Bonds2

About 4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile

4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile (PubChem CID 78946253) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile
PubChem CID78946253
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC=CCl)CCO1
InChIInChI=1S/C8H11ClN2O/c9-2-1-3-11-4-5-12-8(6-10)7-11/h1-2,8H,3-5,7H2
InChIKeySSZXQNLVRPVINO-UHFFFAOYSA-N
XLogP0.96
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile (CID 78946253) is 4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile is N#CC1CN(CC=CCl)CCO1.
What is the InChIKey of 4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile?
The InChIKey is SSZXQNLVRPVINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c9-2-1-3-11-4-5-12-8(6-10)7-11/h1-2,8H,3-5,7H2.
What are the key properties of 4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile?
4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile has a molecular weight of 186.64 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-2-enyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78946253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).