2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide

C15H22FNO — CID 123711811

IUPAC2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide
SMILESC=C(C)C1=C(F)C1C(=CC)C(=O)NC(CC)CC
InChIInChI=1S/C15H22FNO/c1-6-10(7-2)17-15(18)11(8-3)13-12(9(4)5)14(13)16/h8,10,13H,4,6-7H2,1-3,5H3,(H,17,18)
InChIKeyNKZCIWKSXSFUTR-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.67
Rot. Bonds6

About 2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide

2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide (PubChem CID 123711811) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide.

Molecular Properties

Compound Name2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide
PubChem CID123711811
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide
SMILESC=C(C)C1=C(F)C1C(=CC)C(=O)NC(CC)CC
InChIInChI=1S/C15H22FNO/c1-6-10(7-2)17-15(18)11(8-3)13-12(9(4)5)14(13)16/h8,10,13H,4,6-7H2,1-3,5H3,(H,17,18)
InChIKeyNKZCIWKSXSFUTR-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide with MolForge

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Related Compounds

N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
CID 70261540
N-[(2S)-1-fluoro-3-methylbutan-2-yl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123678126
N-propan-2-yl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 126663547
2-(3-fluorocyclohepta-1,3,6-trien-1-yl)-N-[(E)-3-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]pent-3-en-2-yl]cyclopropane-1-carboxamide
CID 142901934
5-(2-aminocyclopropyl)-N-(6,6-difluorohexan-3-yl)cyclohexa-1,3-diene-1-carboxamide
CID 144605395
(2Z)-2-(1-fluoro-2-methylprop-1-enyl)-N-hexan-2-ylpenta-2,4-dienamide
CID 144683875
(2E)-N-cyclohex-2-en-1-yl-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 144683892
(2E)-4-fluoro-N-(4-methylcyclohexyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
CID 144683902
(3Z)-3-butylidene-N-(2,2-difluoropropyl)-4-methylidene-6-propylcyclohexa-1,5-diene-1-carboxamide;2-methylbutan-1-amine
CID 144747433
4-fluoro-3-methyl-6-methylidene-N-propan-2-ylcyclohepta-1,3-diene-1-carboxamide
CID 147091160
(Z,5E)-N-cyclopropyl-8-methylidene-5-pentylidene-4-(trifluoromethyl)dodec-6-enamide
CID 155356631
2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide
CID 157204878

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide?
The IUPAC name of 2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide (CID 123711811) is 2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide.
What is the SMILES notation for 2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide?
The canonical SMILES for 2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide is C=C(C)C1=C(F)C1C(=CC)C(=O)NC(CC)CC.
What is the InChIKey of 2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide?
The InChIKey is NKZCIWKSXSFUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-6-10(7-2)17-15(18)11(8-3)13-12(9(4)5)14(13)16/h8,10,13H,4,6-7H2,1-3,5H3,(H,17,18).
What are the key properties of 2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide?
2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide has a molecular weight of 251.34 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-prop-1-en-2-ylcycloprop-2-en-1-yl)-N-pentan-3-ylbut-2-enamide is sourced from PubChem (CID 123711811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).