N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide

C5H9FN2O — CID 153384815

IUPACN-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide
SMILESNC/C(=C\F)CNC=O
InChIInChI=1S/C5H9FN2O/c6-1-5(2-7)3-8-4-9/h1,4H,2-3,7H2,(H,8,9)/b5-1+
InChIKeyZLKQMPRHJRYKBG-ORCRQEGFSA-N
MW132.14 g/mol
LogP-0.46
Rot. Bonds4

About N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide

N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide (PubChem CID 153384815) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide
PubChem CID153384815
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC NameN-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide
SMILESNC/C(=C\F)CNC=O
InChIInChI=1S/C5H9FN2O/c6-1-5(2-7)3-8-4-9/h1,4H,2-3,7H2,(H,8,9)/b5-1+
InChIKeyZLKQMPRHJRYKBG-ORCRQEGFSA-N
XLogP-0.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide?
The IUPAC name of N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide (CID 153384815) is N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide.
What is the SMILES notation for N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide?
The canonical SMILES for N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide is NC/C(=C\F)CNC=O.
What is the InChIKey of N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide?
The InChIKey is ZLKQMPRHJRYKBG-ORCRQEGFSA-N. The full InChI is InChI=1S/C5H9FN2O/c6-1-5(2-7)3-8-4-9/h1,4H,2-3,7H2,(H,8,9)/b5-1+.
What are the key properties of N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide?
N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide has a molecular weight of 132.14 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]formamide is sourced from PubChem (CID 153384815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).