N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide

C8H12FNO — CID 165408304

IUPACN-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide
SMILESC=CC(C)NC(=O)C1(F)CC1
InChIInChI=1S/C8H12FNO/c1-3-6(2)10-7(11)8(9)4-5-8/h3,6H,1,4-5H2,2H3,(H,10,11)
InChIKeyABMJDWNAKBFQLU-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.18
Rot. Bonds3

About N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide

N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide (PubChem CID 165408304) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide
PubChem CID165408304
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC NameN-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide
SMILESC=CC(C)NC(=O)C1(F)CC1
InChIInChI=1S/C8H12FNO/c1-3-6(2)10-7(11)8(9)4-5-8/h3,6H,1,4-5H2,2H3,(H,10,11)
InChIKeyABMJDWNAKBFQLU-UHFFFAOYSA-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'}

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Related Compounds

N-propan-2-ylpent-4-enamide
CID 53840513
N-[(E)-4-amino-5-fluoropent-2-enyl]butanamide
CID 20466292
N-(4-amino-5-fluoropent-2-enyl)butanamide
CID 54168315
(1S)-2,2-difluoro-N-hex-1-en-3-ylcyclopropane-1-carboxamide
CID 156091574
(1S)-2,2-difluoro-N-pent-4-en-2-ylcyclopropane-1-carboxamide
CID 156302655
N-[(2S)-but-3-en-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 164555636
(1S)-N-[(2R)-but-3-en-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 167134956
N-[(E)-but-2-enyl]-1-(fluoromethyl)cyclopropane-1-carboxamide
CID 178011551
N-but-3-en-2-yl-2,2-difluoro-3-methylcyclopropane-1-carboxamide
CID 130611636
N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide
CID 178010456
N-[(E)-but-2-enyl]-2,2-difluorocyclopropane-1-carboxamide
CID 178010796
2-methylidene-N-propan-2-ylpent-4-enamide
CID 14418379

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide (CID 165408304) is N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide is C=CC(C)NC(=O)C1(F)CC1.
What is the InChIKey of N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide?
The InChIKey is ABMJDWNAKBFQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-3-6(2)10-7(11)8(9)4-5-8/h3,6H,1,4-5H2,2H3,(H,10,11).
What are the key properties of N-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide?
N-but-3-en-2-yl-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-but-3-en-2-yl-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 165408304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).