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

C10H19NO3 — CID 58883196

IUPAC(E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide
SMILESCON(C)C(=O)/C=C/C[C@@H](C)[C@H](C)O
InChIInChI=1S/C10H19NO3/c1-8(9(2)12)6-5-7-10(13)11(3)14-4/h5,7-9,12H,6H2,1-4H3/b7-5+/t8-,9+/m1/s1
InChIKeyCLWHVHNBDZRQNN-FQDVODHFSA-N
MW201.27 g/mol
LogP0.97
Rot. Bonds5

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

(E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide (PubChem CID 58883196) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide.

Molecular Properties

Compound Name(E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide
PubChem CID58883196
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide
SMILESCON(C)C(=O)/C=C/C[C@@H](C)[C@H](C)O
InChIInChI=1S/C10H19NO3/c1-8(9(2)12)6-5-7-10(13)11(3)14-4/h5,7-9,12H,6H2,1-4H3/b7-5+/t8-,9+/m1/s1
InChIKeyCLWHVHNBDZRQNN-FQDVODHFSA-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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Frequently Asked Questions

What is the IUPAC name of (E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide?
The IUPAC name of (E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide (CID 58883196) is (E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide.
What is the SMILES notation for (E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide?
The canonical SMILES for (E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide is CON(C)C(=O)/C=C/C[C@@H](C)[C@H](C)O.
What is the InChIKey of (E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide?
The InChIKey is CLWHVHNBDZRQNN-FQDVODHFSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(9(2)12)6-5-7-10(13)11(3)14-4/h5,7-9,12H,6H2,1-4H3/b7-5+/t8-,9+/m1/s1.
What are the key properties of (E,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide?
(E,5R,6S)-6-hydroxy-N-methoxy-N,5-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,5R,6S)-6-hydroxy-N-methoxy-N,5-dimethylhept-2-enamide is sourced from PubChem (CID 58883196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).