(E)-N,N-diethyl-7-iodohept-2-enamide

C11H20INO — CID 13159339

IUPAC(E)-N,N-diethyl-7-iodohept-2-enamide
SMILESCCN(CC)C(=O)/C=C/CCCCI
InChIInChI=1S/C11H20INO/c1-3-13(4-2)11(14)9-7-5-6-8-10-12/h7,9H,3-6,8,10H2,1-2H3/b9-7+
InChIKeyQLNXKXQGBPQSMB-VQHVLOKHSA-N
MW309.19 g/mol
LogP3.02
Rot. Bonds7

About (E)-N,N-diethyl-7-iodohept-2-enamide

(E)-N,N-diethyl-7-iodohept-2-enamide (PubChem CID 13159339) has the molecular formula C11H20INO and a molecular weight of 309.19 g/mol. Its IUPAC name is (E)-N,N-diethyl-7-iodohept-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-7-iodohept-2-enamide
PubChem CID13159339
Molecular FormulaC11H20INO
Molecular Weight309.19 g/mol
Exact Mass309.06
IUPAC Name(E)-N,N-diethyl-7-iodohept-2-enamide
SMILESCCN(CC)C(=O)/C=C/CCCCI
InChIInChI=1S/C11H20INO/c1-3-13(4-2)11(14)9-7-5-6-8-10-12/h7,9H,3-6,8,10H2,1-2H3/b9-7+
InChIKeyQLNXKXQGBPQSMB-VQHVLOKHSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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)-N,N-diethyl-7-iodohept-2-enamide?
The IUPAC name of (E)-N,N-diethyl-7-iodohept-2-enamide (CID 13159339) is (E)-N,N-diethyl-7-iodohept-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-7-iodohept-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-7-iodohept-2-enamide is CCN(CC)C(=O)/C=C/CCCCI.
What is the InChIKey of (E)-N,N-diethyl-7-iodohept-2-enamide?
The InChIKey is QLNXKXQGBPQSMB-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20INO/c1-3-13(4-2)11(14)9-7-5-6-8-10-12/h7,9H,3-6,8,10H2,1-2H3/b9-7+.
What are the key properties of (E)-N,N-diethyl-7-iodohept-2-enamide?
(E)-N,N-diethyl-7-iodohept-2-enamide has a molecular weight of 309.19 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-7-iodohept-2-enamide is sourced from PubChem (CID 13159339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).