(E)-1-(dimethylamino)dec-1-en-3-one

C12H23NO — CID 13434191

IUPAC(E)-1-(dimethylamino)dec-1-en-3-one
SMILESCCCCCCCC(=O)/C=C/N(C)C
InChIInChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)10-11-13(2)3/h10-11H,4-9H2,1-3H3/b11-10+
InChIKeyQUBBPNXHVIHRPD-ZHACJKMWSA-N
MW197.32 g/mol
LogP2.99
Rot. Bonds8

About (E)-1-(dimethylamino)dec-1-en-3-one

(E)-1-(dimethylamino)dec-1-en-3-one (PubChem CID 13434191) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-1-(dimethylamino)dec-1-en-3-one.

Molecular Properties

Compound Name(E)-1-(dimethylamino)dec-1-en-3-one
PubChem CID13434191
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-1-(dimethylamino)dec-1-en-3-one
SMILESCCCCCCCC(=O)/C=C/N(C)C
InChIInChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)10-11-13(2)3/h10-11H,4-9H2,1-3H3/b11-10+
InChIKeyQUBBPNXHVIHRPD-ZHACJKMWSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.99
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 (E)-1-(dimethylamino)dec-1-en-3-one?
The IUPAC name of (E)-1-(dimethylamino)dec-1-en-3-one (CID 13434191) is (E)-1-(dimethylamino)dec-1-en-3-one.
What is the SMILES notation for (E)-1-(dimethylamino)dec-1-en-3-one?
The canonical SMILES for (E)-1-(dimethylamino)dec-1-en-3-one is CCCCCCCC(=O)/C=C/N(C)C.
What is the InChIKey of (E)-1-(dimethylamino)dec-1-en-3-one?
The InChIKey is QUBBPNXHVIHRPD-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-6-7-8-9-12(14)10-11-13(2)3/h10-11H,4-9H2,1-3H3/b11-10+.
What are the key properties of (E)-1-(dimethylamino)dec-1-en-3-one?
(E)-1-(dimethylamino)dec-1-en-3-one has a molecular weight of 197.32 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(dimethylamino)dec-1-en-3-one is sourced from PubChem (CID 13434191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).