5-(dimethylamino)pent-1-en-3-one

C7H13NO — CID 10176144

IUPAC5-(dimethylamino)pent-1-en-3-one
SMILESC=CC(=O)CCN(C)C
InChIInChI=1S/C7H13NO/c1-4-7(9)5-6-8(2)3/h4H,1,5-6H2,2-3H3
InChIKeyPENDLXYAEYGSTB-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.69
Rot. Bonds4

About 5-(dimethylamino)pent-1-en-3-one

5-(dimethylamino)pent-1-en-3-one (PubChem CID 10176144) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-(dimethylamino)pent-1-en-3-one.

Molecular Properties

Compound Name5-(dimethylamino)pent-1-en-3-one
PubChem CID10176144
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-(dimethylamino)pent-1-en-3-one
SMILESC=CC(=O)CCN(C)C
InChIInChI=1S/C7H13NO/c1-4-7(9)5-6-8(2)3/h4H,1,5-6H2,2-3H3
InChIKeyPENDLXYAEYGSTB-UHFFFAOYSA-N
XLogP0.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pent-1-en-3-one?
The IUPAC name of 5-(dimethylamino)pent-1-en-3-one (CID 10176144) is 5-(dimethylamino)pent-1-en-3-one.
What is the SMILES notation for 5-(dimethylamino)pent-1-en-3-one?
The canonical SMILES for 5-(dimethylamino)pent-1-en-3-one is C=CC(=O)CCN(C)C.
What is the InChIKey of 5-(dimethylamino)pent-1-en-3-one?
The InChIKey is PENDLXYAEYGSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-7(9)5-6-8(2)3/h4H,1,5-6H2,2-3H3.
What are the key properties of 5-(dimethylamino)pent-1-en-3-one?
5-(dimethylamino)pent-1-en-3-one has a molecular weight of 127.19 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pent-1-en-3-one is sourced from PubChem (CID 10176144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).