(E,7R)-7-(methylamino)oct-5-en-2-one

C9H17NO — CID 164724479

IUPAC(E,7R)-7-(methylamino)oct-5-en-2-one
SMILESCN[C@H](C)/C=C/CCC(C)=O
InChIInChI=1S/C9H17NO/c1-8(10-3)6-4-5-7-9(2)11/h4,6,8,10H,5,7H2,1-3H3/b6-4+/t8-/m1/s1
InChIKeyDJAHSLWBGGTPFO-YZCDNWJKSA-N
MW155.24 g/mol
LogP1.52
Rot. Bonds5

About (E,7R)-7-(methylamino)oct-5-en-2-one

(E,7R)-7-(methylamino)oct-5-en-2-one (PubChem CID 164724479) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E,7R)-7-(methylamino)oct-5-en-2-one.

Molecular Properties

Compound Name(E,7R)-7-(methylamino)oct-5-en-2-one
PubChem CID164724479
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E,7R)-7-(methylamino)oct-5-en-2-one
SMILESCN[C@H](C)/C=C/CCC(C)=O
InChIInChI=1S/C9H17NO/c1-8(10-3)6-4-5-7-9(2)11/h4,6,8,10H,5,7H2,1-3H3/b6-4+/t8-/m1/s1
InChIKeyDJAHSLWBGGTPFO-YZCDNWJKSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.52
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,7R)-7-(methylamino)oct-5-en-2-one?
The IUPAC name of (E,7R)-7-(methylamino)oct-5-en-2-one (CID 164724479) is (E,7R)-7-(methylamino)oct-5-en-2-one.
What is the SMILES notation for (E,7R)-7-(methylamino)oct-5-en-2-one?
The canonical SMILES for (E,7R)-7-(methylamino)oct-5-en-2-one is CN[C@H](C)/C=C/CCC(C)=O.
What is the InChIKey of (E,7R)-7-(methylamino)oct-5-en-2-one?
The InChIKey is DJAHSLWBGGTPFO-YZCDNWJKSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(10-3)6-4-5-7-9(2)11/h4,6,8,10H,5,7H2,1-3H3/b6-4+/t8-/m1/s1.
What are the key properties of (E,7R)-7-(methylamino)oct-5-en-2-one?
(E,7R)-7-(methylamino)oct-5-en-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7R)-7-(methylamino)oct-5-en-2-one is sourced from PubChem (CID 164724479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).