1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea

C7H11FN2O — CID 135276370

IUPAC1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea
SMILESCNC(=O)N/C=C/C=C\CF
InChIInChI=1S/C7H11FN2O/c1-9-7(11)10-6-4-2-3-5-8/h2-4,6H,5H2,1H3,(H2,9,10,11)/b3-2-,6-4+
InChIKeyQYSKPDKZHURKBS-MGLVMYNNSA-N
MW158.18 g/mol
LogP0.95
Rot. Bonds3

About 1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea

1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea (PubChem CID 135276370) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea.

Molecular Properties

Compound Name1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea
PubChem CID135276370
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea
SMILESCNC(=O)N/C=C/C=C\CF
InChIInChI=1S/C7H11FN2O/c1-9-7(11)10-6-4-2-3-5-8/h2-4,6H,5H2,1H3,(H2,9,10,11)/b3-2-,6-4+
InChIKeyQYSKPDKZHURKBS-MGLVMYNNSA-N
XLogP0.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea?
The IUPAC name of 1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea (CID 135276370) is 1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea.
What is the SMILES notation for 1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea?
The canonical SMILES for 1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea is CNC(=O)N/C=C/C=C\CF.
What is the InChIKey of 1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea?
The InChIKey is QYSKPDKZHURKBS-MGLVMYNNSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-9-7(11)10-6-4-2-3-5-8/h2-4,6H,5H2,1H3,(H2,9,10,11)/b3-2-,6-4+.
What are the key properties of 1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea?
1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea has a molecular weight of 158.18 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3Z)-5-fluoropenta-1,3-dienyl]-3-methylurea is sourced from PubChem (CID 135276370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).