4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine

C8H14ClNO — CID 131234743

IUPAC4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine
SMILESCC1COCCN1C/C=C/Cl
InChIInChI=1S/C8H14ClNO/c1-8-7-11-6-5-10(8)4-2-3-9/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyVSUGZZFFLUYWGJ-NSCUHMNNSA-N
MW175.66 g/mol
LogP1.46
Rot. Bonds2

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

4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine (PubChem CID 131234743) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine
PubChem CID131234743
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine
SMILESCC1COCCN1C/C=C/Cl
InChIInChI=1S/C8H14ClNO/c1-8-7-11-6-5-10(8)4-2-3-9/h2-3,8H,4-7H2,1H3/b3-2+
InChIKeyVSUGZZFFLUYWGJ-NSCUHMNNSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.46
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]-3-methylmorpholine?
The IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine (CID 131234743) is 4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine is CC1COCCN1C/C=C/Cl.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine?
The InChIKey is VSUGZZFFLUYWGJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-8-7-11-6-5-10(8)4-2-3-9/h2-3,8H,4-7H2,1H3/b3-2+.
What are the key properties of 4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine?
4-[(E)-3-chloroprop-2-enyl]-3-methylmorpholine has a molecular weight of 175.66 g/mol, XLogP of 1.46, 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]-3-methylmorpholine is sourced from PubChem (CID 131234743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).