(E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide

C10H20N2O — CID 44570055

IUPAC(E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide
SMILESCC(C/C=C/C(=O)N(C)C)N(C)C
InChIInChI=1S/C10H20N2O/c1-9(11(2)3)7-6-8-10(13)12(4)5/h6,8-9H,7H2,1-5H3/b8-6+
InChIKeySZRDMKGSPWOQFL-SOFGYWHQSA-N
MW184.28 g/mol
LogP0.97
Rot. Bonds4

About (E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide

(E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide (PubChem CID 44570055) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide.

Molecular Properties

Compound Name(E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide
PubChem CID44570055
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide
SMILESCC(C/C=C/C(=O)N(C)C)N(C)C
InChIInChI=1S/C10H20N2O/c1-9(11(2)3)7-6-8-10(13)12(4)5/h6,8-9H,7H2,1-5H3/b8-6+
InChIKeySZRDMKGSPWOQFL-SOFGYWHQSA-N
XLogP0.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.97
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 (E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide?
The IUPAC name of (E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide (CID 44570055) is (E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide.
What is the SMILES notation for (E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide?
The canonical SMILES for (E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide is CC(C/C=C/C(=O)N(C)C)N(C)C.
What is the InChIKey of (E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide?
The InChIKey is SZRDMKGSPWOQFL-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(11(2)3)7-6-8-10(13)12(4)5/h6,8-9H,7H2,1-5H3/b8-6+.
What are the key properties of (E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide?
(E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dimethylamino)-N,N-dimethylhex-2-enamide is sourced from PubChem (CID 44570055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).