(E)-6-hydroxy-N,N,5-trimethylhept-3-enamide

C10H19NO2 — CID 5366312

IUPAC(E)-6-hydroxy-N,N,5-trimethylhept-3-enamide
SMILESCC(O)C(C)/C=C/CC(=O)N(C)C
InChIInChI=1S/C10H19NO2/c1-8(9(2)12)6-5-7-10(13)11(3)4/h5-6,8-9,12H,7H2,1-4H3/b6-5+
InChIKeyQQYKINBESZJFGH-AATRIKPKSA-N
MW185.27 g/mol
LogP1.04
Rot. Bonds4

About (E)-6-hydroxy-N,N,5-trimethylhept-3-enamide

(E)-6-hydroxy-N,N,5-trimethylhept-3-enamide (PubChem CID 5366312) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-6-hydroxy-N,N,5-trimethylhept-3-enamide.

Molecular Properties

Compound Name(E)-6-hydroxy-N,N,5-trimethylhept-3-enamide
PubChem CID5366312
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-6-hydroxy-N,N,5-trimethylhept-3-enamide
SMILESCC(O)C(C)/C=C/CC(=O)N(C)C
InChIInChI=1S/C10H19NO2/c1-8(9(2)12)6-5-7-10(13)11(3)4/h5-6,8-9,12H,7H2,1-4H3/b6-5+
InChIKeyQQYKINBESZJFGH-AATRIKPKSA-N
XLogP1.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
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 (E)-6-hydroxy-N,N,5-trimethylhept-3-enamide?
The IUPAC name of (E)-6-hydroxy-N,N,5-trimethylhept-3-enamide (CID 5366312) is (E)-6-hydroxy-N,N,5-trimethylhept-3-enamide.
What is the SMILES notation for (E)-6-hydroxy-N,N,5-trimethylhept-3-enamide?
The canonical SMILES for (E)-6-hydroxy-N,N,5-trimethylhept-3-enamide is CC(O)C(C)/C=C/CC(=O)N(C)C.
What is the InChIKey of (E)-6-hydroxy-N,N,5-trimethylhept-3-enamide?
The InChIKey is QQYKINBESZJFGH-AATRIKPKSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(9(2)12)6-5-7-10(13)11(3)4/h5-6,8-9,12H,7H2,1-4H3/b6-5+.
What are the key properties of (E)-6-hydroxy-N,N,5-trimethylhept-3-enamide?
(E)-6-hydroxy-N,N,5-trimethylhept-3-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-hydroxy-N,N,5-trimethylhept-3-enamide is sourced from PubChem (CID 5366312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).