(E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide

C10H19NO3 — CID 14947796

IUPAC(E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide
SMILESCON(C)C(=O)/C=C/C[C@H](O)C(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)9(12)6-5-7-10(13)11(3)14-4/h5,7-9,12H,6H2,1-4H3/b7-5+/t9-/m0/s1
InChIKeyYJMFOLGTZACIEL-IWGCBNPKSA-N
MW201.27 g/mol
LogP0.97
Rot. Bonds5

About (E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide

(E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide (PubChem CID 14947796) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide.

Molecular Properties

Compound Name(E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide
PubChem CID14947796
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide
SMILESCON(C)C(=O)/C=C/C[C@H](O)C(C)C
InChIInChI=1S/C10H19NO3/c1-8(2)9(12)6-5-7-10(13)11(3)14-4/h5,7-9,12H,6H2,1-4H3/b7-5+/t9-/m0/s1
InChIKeyYJMFOLGTZACIEL-IWGCBNPKSA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide
CID 10035716
(E,4S,5S)-5-hydroxy-N-methoxy-N,4,6-trimethylhept-2-enamide
CID 10036225
(2E,5S)-5-hydroxy-N-methoxy-N,4,4-trimethylhepta-2,6-dienamide
CID 135042580
(E,5R)-5-hydroxy-N-methoxy-N-methyloct-2-enamide
CID 49781847
(E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide
CID 58883196
(2E,6E)-9-hydroxy-N-methoxy-N-methylnona-2,6-dienamide
CID 88575328
(2E,5R)-5-hydroxy-N-methoxy-N-methylhepta-2,6-dienamide
CID 88901777
(E)-N-methoxy-N,4-dimethylhept-2-enamide
CID 130453610
(2E)-4-(3-hydroxypropyl)-N-methoxy-N-methylhepta-2,6-dienamide
CID 10585407
(E)-4-[(1S,3S)-3-hydroxycyclopentyl]-N-methoxy-N-methylbut-2-enamide
CID 10822479
(E,4R,5R)-4,5-dihydroxy-N-methoxy-N,6-dimethylhept-2-enamide
CID 49781633
N-Methoxy-N,4,8-trimethylnona-2,7-dienamide
CID 75366827

Frequently Asked Questions

What is the IUPAC name of (E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide?
The IUPAC name of (E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide (CID 14947796) is (E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide.
What is the SMILES notation for (E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide?
The canonical SMILES for (E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide is CON(C)C(=O)/C=C/C[C@H](O)C(C)C.
What is the InChIKey of (E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide?
The InChIKey is YJMFOLGTZACIEL-IWGCBNPKSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)9(12)6-5-7-10(13)11(3)14-4/h5,7-9,12H,6H2,1-4H3/b7-5+/t9-/m0/s1.
What are the key properties of (E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide?
(E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-5-hydroxy-N-methoxy-N,6-dimethylhept-2-enamide is sourced from PubChem (CID 14947796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).