(E)-N,N-dimethyl-2-propylhex-2-enamide

C11H21NO — CID 102590294

IUPAC(E)-N,N-dimethyl-2-propylhex-2-enamide
SMILESCCC/C=C(\CCC)C(=O)N(C)C
InChIInChI=1S/C11H21NO/c1-5-7-9-10(8-6-2)11(13)12(3)4/h9H,5-8H2,1-4H3/b10-9+
InChIKeyWJWNSHOAQUDJSO-MDZDMXLPSA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds5

About (E)-N,N-dimethyl-2-propylhex-2-enamide

(E)-N,N-dimethyl-2-propylhex-2-enamide (PubChem CID 102590294) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-N,N-dimethyl-2-propylhex-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-2-propylhex-2-enamide
PubChem CID102590294
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-N,N-dimethyl-2-propylhex-2-enamide
SMILESCCC/C=C(\CCC)C(=O)N(C)C
InChIInChI=1S/C11H21NO/c1-5-7-9-10(8-6-2)11(13)12(3)4/h9H,5-8H2,1-4H3/b10-9+
InChIKeyWJWNSHOAQUDJSO-MDZDMXLPSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-N,N-dimethyl-2-propylhex-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-2-propylhex-2-enamide (CID 102590294) is (E)-N,N-dimethyl-2-propylhex-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-2-propylhex-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-2-propylhex-2-enamide is CCC/C=C(\CCC)C(=O)N(C)C.
What is the InChIKey of (E)-N,N-dimethyl-2-propylhex-2-enamide?
The InChIKey is WJWNSHOAQUDJSO-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-9-10(8-6-2)11(13)12(3)4/h9H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-N,N-dimethyl-2-propylhex-2-enamide?
(E)-N,N-dimethyl-2-propylhex-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-2-propylhex-2-enamide is sourced from PubChem (CID 102590294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).