4-(dimethylamino)undec-1-en-3-one

C13H25NO — CID 88520222

IUPAC4-(dimethylamino)undec-1-en-3-one
SMILESC=CC(=O)C(CCCCCCC)N(C)C
InChIInChI=1S/C13H25NO/c1-5-7-8-9-10-11-12(14(3)4)13(15)6-2/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyJNVSTBPLFYCNCA-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.03
Rot. Bonds9

About 4-(dimethylamino)undec-1-en-3-one

4-(dimethylamino)undec-1-en-3-one (PubChem CID 88520222) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(dimethylamino)undec-1-en-3-one.

Molecular Properties

Compound Name4-(dimethylamino)undec-1-en-3-one
PubChem CID88520222
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-(dimethylamino)undec-1-en-3-one
SMILESC=CC(=O)C(CCCCCCC)N(C)C
InChIInChI=1S/C13H25NO/c1-5-7-8-9-10-11-12(14(3)4)13(15)6-2/h6,12H,2,5,7-11H2,1,3-4H3
InChIKeyJNVSTBPLFYCNCA-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)undec-1-en-3-one?
The IUPAC name of 4-(dimethylamino)undec-1-en-3-one (CID 88520222) is 4-(dimethylamino)undec-1-en-3-one.
What is the SMILES notation for 4-(dimethylamino)undec-1-en-3-one?
The canonical SMILES for 4-(dimethylamino)undec-1-en-3-one is C=CC(=O)C(CCCCCCC)N(C)C.
What is the InChIKey of 4-(dimethylamino)undec-1-en-3-one?
The InChIKey is JNVSTBPLFYCNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-5-7-8-9-10-11-12(14(3)4)13(15)6-2/h6,12H,2,5,7-11H2,1,3-4H3.
What are the key properties of 4-(dimethylamino)undec-1-en-3-one?
4-(dimethylamino)undec-1-en-3-one has a molecular weight of 211.35 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)undec-1-en-3-one is sourced from PubChem (CID 88520222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).