4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile

C8H10Cl2N2O — CID 79674533

IUPAC4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC(Cl)=CCl)CCO1
InChIInChI=1S/C8H10Cl2N2O/c9-3-7(10)5-12-1-2-13-8(4-11)6-12/h3,8H,1-2,5-6H2
InChIKeyNSDADZAWBGOBFD-UHFFFAOYSA-N
MW221.09 g/mol
LogP1.53
Rot. Bonds2

About 4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile

4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile (PubChem CID 79674533) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is 4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile
PubChem CID79674533
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC Name4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile
SMILESN#CC1CN(CC(Cl)=CCl)CCO1
InChIInChI=1S/C8H10Cl2N2O/c9-3-7(10)5-12-1-2-13-8(4-11)6-12/h3,8H,1-2,5-6H2
InChIKeyNSDADZAWBGOBFD-UHFFFAOYSA-N
XLogP1.53
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile (CID 79674533) is 4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile is N#CC1CN(CC(Cl)=CCl)CCO1.
What is the InChIKey of 4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile?
The InChIKey is NSDADZAWBGOBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c9-3-7(10)5-12-1-2-13-8(4-11)6-12/h3,8H,1-2,5-6H2.
What are the key properties of 4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile?
4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile has a molecular weight of 221.09 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloroprop-2-enyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79674533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).