(Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide

C14H22FNO — CID 143577542

IUPAC(Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide
SMILESCC/C=C\C(=O)N(C)/C(=C/C(F)=C(C)C)CC
InChIInChI=1S/C14H22FNO/c1-6-8-9-14(17)16(5)12(7-2)10-13(15)11(3)4/h8-10H,6-7H2,1-5H3/b9-8-,12-10+
InChIKeyVHLIXQHKRIOZCS-LVQHWDRTSA-N
MW239.33 g/mol
LogP3.97
Rot. Bonds5

About (Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide

(Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide (PubChem CID 143577542) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide
PubChem CID143577542
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide
SMILESCC/C=C\C(=O)N(C)/C(=C/C(F)=C(C)C)CC
InChIInChI=1S/C14H22FNO/c1-6-8-9-14(17)16(5)12(7-2)10-13(15)11(3)4/h8-10H,6-7H2,1-5H3/b9-8-,12-10+
InChIKeyVHLIXQHKRIOZCS-LVQHWDRTSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide?
The IUPAC name of (Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide (CID 143577542) is (Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide is CC/C=C\C(=O)N(C)/C(=C/C(F)=C(C)C)CC.
What is the InChIKey of (Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide?
The InChIKey is VHLIXQHKRIOZCS-LVQHWDRTSA-N. The full InChI is InChI=1S/C14H22FNO/c1-6-8-9-14(17)16(5)12(7-2)10-13(15)11(3)4/h8-10H,6-7H2,1-5H3/b9-8-,12-10+.
What are the key properties of (Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide?
(Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide has a molecular weight of 239.33 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3E)-5-fluoro-6-methylhepta-3,5-dien-3-yl]-N-methylpent-2-enamide is sourced from PubChem (CID 143577542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).