5-methyl-1-(propan-2-ylamino)hex-5-en-2-one

C10H19NO — CID 114477877

IUPAC5-methyl-1-(propan-2-ylamino)hex-5-en-2-one
SMILESC=C(C)CCC(=O)CNC(C)C
InChIInChI=1S/C10H19NO/c1-8(2)5-6-10(12)7-11-9(3)4/h9,11H,1,5-7H2,2-4H3
InChIKeyHXOXYEHTLACJGN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.91
Rot. Bonds6

About 5-methyl-1-(propan-2-ylamino)hex-5-en-2-one

5-methyl-1-(propan-2-ylamino)hex-5-en-2-one (PubChem CID 114477877) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-methyl-1-(propan-2-ylamino)hex-5-en-2-one.

Molecular Properties

Compound Name5-methyl-1-(propan-2-ylamino)hex-5-en-2-one
PubChem CID114477877
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-methyl-1-(propan-2-ylamino)hex-5-en-2-one
SMILESC=C(C)CCC(=O)CNC(C)C
InChIInChI=1S/C10H19NO/c1-8(2)5-6-10(12)7-11-9(3)4/h9,11H,1,5-7H2,2-4H3
InChIKeyHXOXYEHTLACJGN-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.91
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 5-methyl-1-(propan-2-ylamino)hex-5-en-2-one?
The IUPAC name of 5-methyl-1-(propan-2-ylamino)hex-5-en-2-one (CID 114477877) is 5-methyl-1-(propan-2-ylamino)hex-5-en-2-one.
What is the SMILES notation for 5-methyl-1-(propan-2-ylamino)hex-5-en-2-one?
The canonical SMILES for 5-methyl-1-(propan-2-ylamino)hex-5-en-2-one is C=C(C)CCC(=O)CNC(C)C.
What is the InChIKey of 5-methyl-1-(propan-2-ylamino)hex-5-en-2-one?
The InChIKey is HXOXYEHTLACJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)5-6-10(12)7-11-9(3)4/h9,11H,1,5-7H2,2-4H3.
What are the key properties of 5-methyl-1-(propan-2-ylamino)hex-5-en-2-one?
5-methyl-1-(propan-2-ylamino)hex-5-en-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(propan-2-ylamino)hex-5-en-2-one is sourced from PubChem (CID 114477877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).