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

C9H16ClNO — CID 131232394

IUPAC4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1C/C=C/Cl
InChIInChI=1S/C9H16ClNO/c1-9(2)8-12-7-6-11(9)5-3-4-10/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeySCLSDJOVBIVHDY-ONEGZZNKSA-N
MW189.69 g/mol
LogP1.85
Rot. Bonds2

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

4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine (PubChem CID 131232394) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine
PubChem CID131232394
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1C/C=C/Cl
InChIInChI=1S/C9H16ClNO/c1-9(2)8-12-7-6-11(9)5-3-4-10/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeySCLSDJOVBIVHDY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,3-dimethylmorpholin-4-yl)but-2-enoic acid
CID 76940682
2-[(3,3-dimethylmorpholin-4-yl)methyl]prop-2-en-1-amine
CID 103069720
3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol
CID 103935066
4-(cyclobutylmethyl)-3,3-dimethylmorpholine
CID 127377423
4-(4-bromobutyl)-3,3-dimethylmorpholine
CID 61430684
2-[(3,3-dimethylmorpholin-4-yl)methyl]-N-prop-1-en-2-ylprop-2-en-1-imine
CID 145197774
3-(3,3-dimethylmorpholin-4-yl)propane-1-sulfonyl chloride
CID 112594686
1-(3,3-dimethylmorpholin-4-yl)-N,2-dimethylpropan-2-amine
CID 62846220
3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
CID 61430007
4-[2-(1,3-dioxan-2-yl)ethyl]-3,3-dimethylmorpholine
CID 66472303
1-(3,3-dimethylmorpholin-4-yl)-N-methylbutan-2-amine
CID 62038435

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine (CID 131232394) is 4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine is CC1(C)COCCN1C/C=C/Cl.
What is the InChIKey of 4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine?
The InChIKey is SCLSDJOVBIVHDY-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-9(2)8-12-7-6-11(9)5-3-4-10/h3-4H,5-8H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-3-chloroprop-2-enyl]-3,3-dimethylmorpholine?
4-[(E)-3-chloroprop-2-enyl]-3,3-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]-3,3-dimethylmorpholine is sourced from PubChem (CID 131232394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).