1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea

C5H9FN2O — CID 156521252

IUPAC1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea
SMILESCNC(=O)N/C(C)=C\F
InChIInChI=1S/C5H9FN2O/c1-4(3-6)8-5(9)7-2/h3H,1-2H3,(H2,7,8,9)/b4-3-
InChIKeyCOASZFUIFOMRGU-ARJAWSKDSA-N
MW132.14 g/mol
LogP0.75
Rot. Bonds1

About 1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea

1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea (PubChem CID 156521252) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is 1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea
PubChem CID156521252
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea
SMILESCNC(=O)N/C(C)=C\F
InChIInChI=1S/C5H9FN2O/c1-4(3-6)8-5(9)7-2/h3H,1-2H3,(H2,7,8,9)/b4-3-
InChIKeyCOASZFUIFOMRGU-ARJAWSKDSA-N
XLogP0.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea?
The IUPAC name of 1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea (CID 156521252) is 1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea.
What is the SMILES notation for 1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea?
The canonical SMILES for 1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea is CNC(=O)N/C(C)=C\F.
What is the InChIKey of 1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea?
The InChIKey is COASZFUIFOMRGU-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9FN2O/c1-4(3-6)8-5(9)7-2/h3H,1-2H3,(H2,7,8,9)/b4-3-.
What are the key properties of 1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea?
1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea has a molecular weight of 132.14 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-fluoroprop-1-en-2-yl]-3-methylurea is sourced from PubChem (CID 156521252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).