(3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one

C14H25NO2 — CID 164675988

IUPAC(3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one
SMILESC=C[C@](C)(CCCC)CC(=O)N1CCOCC1
InChIInChI=1S/C14H25NO2/c1-4-6-7-14(3,5-2)12-13(16)15-8-10-17-11-9-15/h5H,2,4,6-12H2,1,3H3/t14-/m1/s1
InChIKeySVXGRSYYTFSGTI-CQSZACIVSA-N
MW239.36 g/mol
LogP2.62
Rot. Bonds6

About (3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one

(3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one (PubChem CID 164675988) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one.

Molecular Properties

Compound Name(3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one
PubChem CID164675988
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one
SMILESC=C[C@](C)(CCCC)CC(=O)N1CCOCC1
InChIInChI=1S/C14H25NO2/c1-4-6-7-14(3,5-2)12-13(16)15-8-10-17-11-9-15/h5H,2,4,6-12H2,1,3H3/t14-/m1/s1
InChIKeySVXGRSYYTFSGTI-CQSZACIVSA-N
XLogP2.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one?
The IUPAC name of (3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one (CID 164675988) is (3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one.
What is the SMILES notation for (3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one?
The canonical SMILES for (3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one is C=C[C@](C)(CCCC)CC(=O)N1CCOCC1.
What is the InChIKey of (3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one?
The InChIKey is SVXGRSYYTFSGTI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-6-7-14(3,5-2)12-13(16)15-8-10-17-11-9-15/h5H,2,4,6-12H2,1,3H3/t14-/m1/s1.
What are the key properties of (3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one?
(3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one is sourced from PubChem (CID 164675988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).