4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine

C9H16ClNO — CID 131232115

IUPAC4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine
SMILESCC1OCCN(C/C=C/Cl)C1C
InChIInChI=1S/C9H16ClNO/c1-8-9(2)12-7-6-11(8)5-3-4-10/h3-4,8-9H,5-7H2,1-2H3/b4-3+
InChIKeyZNXJVFRDAORZSA-ONEGZZNKSA-N
MW189.69 g/mol
LogP1.85
Rot. Bonds2

About 4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine

4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine (PubChem CID 131232115) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine
PubChem CID131232115
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine
SMILESCC1OCCN(C/C=C/Cl)C1C
InChIInChI=1S/C9H16ClNO/c1-8-9(2)12-7-6-11(8)5-3-4-10/h3-4,8-9H,5-7H2,1-2H3/b4-3+
InChIKeyZNXJVFRDAORZSA-ONEGZZNKSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine?
The IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine (CID 131232115) is 4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine is CC1OCCN(C/C=C/Cl)C1C.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine?
The InChIKey is ZNXJVFRDAORZSA-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8-9(2)12-7-6-11(8)5-3-4-10/h3-4,8-9H,5-7H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine?
4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine has a molecular weight of 189.69 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-chloroprop-2-enyl]-2,3-dimethylmorpholine is sourced from PubChem (CID 131232115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).