N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide

C8H12FNO — CID 178010456

IUPACN-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide
SMILESC/C=C/CNC(=O)C1(F)CC1
InChIInChI=1S/C8H12FNO/c1-2-3-6-10-7(11)8(9)4-5-8/h2-3H,4-6H2,1H3,(H,10,11)/b3-2+
InChIKeyHANFTWGRFRRONO-NSCUHMNNSA-N
MW157.19 g/mol
LogP1.18
Rot. Bonds3

About N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide

N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide (PubChem CID 178010456) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide
PubChem CID178010456
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC NameN-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide
SMILESC/C=C/CNC(=O)C1(F)CC1
InChIInChI=1S/C8H12FNO/c1-2-3-6-10-7(11)8(9)4-5-8/h2-3H,4-6H2,1H3,(H,10,11)/b3-2+
InChIKeyHANFTWGRFRRONO-NSCUHMNNSA-N
XLogP1.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide (CID 178010456) is N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide is C/C=C/CNC(=O)C1(F)CC1.
What is the InChIKey of N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide?
The InChIKey is HANFTWGRFRRONO-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H12FNO/c1-2-3-6-10-7(11)8(9)4-5-8/h2-3H,4-6H2,1H3,(H,10,11)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide?
N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide has a molecular weight of 157.19 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 178010456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).