(3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide

C10H19NO3 — CID 51355111

IUPAC(3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide
SMILESC=C[C@H](O)C(C)(C)[C@@H](O)CC(=O)NC
InChIInChI=1S/C10H19NO3/c1-5-7(12)10(2,3)8(13)6-9(14)11-4/h5,7-8,12-13H,1,6H2,2-4H3,(H,11,14)/t7-,8-/m0/s1
InChIKeyVEYGKDKBKWOYOF-YUMQZZPRSA-N
MW201.27 g/mol
LogP0.06
Rot. Bonds5

About (3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide

(3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide (PubChem CID 51355111) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide.

Molecular Properties

Compound Name(3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide
PubChem CID51355111
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide
SMILESC=C[C@H](O)C(C)(C)[C@@H](O)CC(=O)NC
InChIInChI=1S/C10H19NO3/c1-5-7(12)10(2,3)8(13)6-9(14)11-4/h5,7-8,12-13H,1,6H2,2-4H3,(H,11,14)/t7-,8-/m0/s1
InChIKeyVEYGKDKBKWOYOF-YUMQZZPRSA-N
XLogP0.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide?
The IUPAC name of (3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide (CID 51355111) is (3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide.
What is the SMILES notation for (3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide?
The canonical SMILES for (3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide is C=C[C@H](O)C(C)(C)[C@@H](O)CC(=O)NC.
What is the InChIKey of (3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide?
The InChIKey is VEYGKDKBKWOYOF-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-7(12)10(2,3)8(13)6-9(14)11-4/h5,7-8,12-13H,1,6H2,2-4H3,(H,11,14)/t7-,8-/m0/s1.
What are the key properties of (3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide?
(3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide has a molecular weight of 201.27 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dihydroxy-N,4,4-trimethylhept-6-enamide is sourced from PubChem (CID 51355111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).