2-methyl-1-(methylamino)hept-1-en-3-one

C9H17NO — CID 71321613

IUPAC2-methyl-1-(methylamino)hept-1-en-3-one
SMILESCCCCC(=O)C(C)=CNC
InChIInChI=1S/C9H17NO/c1-4-5-6-9(11)8(2)7-10-3/h7,10H,4-6H2,1-3H3
InChIKeyHVASVYGBJVFPDO-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds5

About 2-methyl-1-(methylamino)hept-1-en-3-one

2-methyl-1-(methylamino)hept-1-en-3-one (PubChem CID 71321613) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)hept-1-en-3-one.

Molecular Properties

Compound Name2-methyl-1-(methylamino)hept-1-en-3-one
PubChem CID71321613
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-1-(methylamino)hept-1-en-3-one
SMILESCCCCC(=O)C(C)=CNC
InChIInChI=1S/C9H17NO/c1-4-5-6-9(11)8(2)7-10-3/h7,10H,4-6H2,1-3H3
InChIKeyHVASVYGBJVFPDO-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylamino)hept-1-en-3-one?
The IUPAC name of 2-methyl-1-(methylamino)hept-1-en-3-one (CID 71321613) is 2-methyl-1-(methylamino)hept-1-en-3-one.
What is the SMILES notation for 2-methyl-1-(methylamino)hept-1-en-3-one?
The canonical SMILES for 2-methyl-1-(methylamino)hept-1-en-3-one is CCCCC(=O)C(C)=CNC.
What is the InChIKey of 2-methyl-1-(methylamino)hept-1-en-3-one?
The InChIKey is HVASVYGBJVFPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-6-9(11)8(2)7-10-3/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-(methylamino)hept-1-en-3-one?
2-methyl-1-(methylamino)hept-1-en-3-one has a molecular weight of 155.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)hept-1-en-3-one is sourced from PubChem (CID 71321613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).