(Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide

C11H16FNO — CID 167190206

IUPAC(Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide
SMILESC=C(F)CC(C)NC(=O)C(=C)/C=C\C
InChIInChI=1S/C11H16FNO/c1-5-6-8(2)11(14)13-10(4)7-9(3)12/h5-6,10H,2-3,7H2,1,4H3,(H,13,14)/b6-5-
InChIKeyQDUVIJXIWSEUMZ-WAYWQWQTSA-N
MW197.25 g/mol
LogP2.50
Rot. Bonds5

About (Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide

(Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide (PubChem CID 167190206) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide.

Molecular Properties

Compound Name(Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide
PubChem CID167190206
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide
SMILESC=C(F)CC(C)NC(=O)C(=C)/C=C\C
InChIInChI=1S/C11H16FNO/c1-5-6-8(2)11(14)13-10(4)7-9(3)12/h5-6,10H,2-3,7H2,1,4H3,(H,13,14)/b6-5-
InChIKeyQDUVIJXIWSEUMZ-WAYWQWQTSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
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-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide?
The IUPAC name of (Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide (CID 167190206) is (Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide.
What is the SMILES notation for (Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide?
The canonical SMILES for (Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide is C=C(F)CC(C)NC(=O)C(=C)/C=C\C.
What is the InChIKey of (Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide?
The InChIKey is QDUVIJXIWSEUMZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H16FNO/c1-5-6-8(2)11(14)13-10(4)7-9(3)12/h5-6,10H,2-3,7H2,1,4H3,(H,13,14)/b6-5-.
What are the key properties of (Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide?
(Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide has a molecular weight of 197.25 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-fluoropent-4-en-2-yl)-2-methylidenepent-3-enamide is sourced from PubChem (CID 167190206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).