N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide

C10H16FNO — CID 126994060

IUPACN-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide
SMILESCC(C)=C(F)C(=O)NC1CC1(C)C
InChIInChI=1S/C10H16FNO/c1-6(2)8(11)9(13)12-7-5-10(7,3)4/h7H,5H2,1-4H3,(H,12,13)
InChIKeyNAKFGRDDCWZPSB-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.16
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide

N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide (PubChem CID 126994060) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide
PubChem CID126994060
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide
SMILESCC(C)=C(F)C(=O)NC1CC1(C)C
InChIInChI=1S/C10H16FNO/c1-6(2)8(11)9(13)12-7-5-10(7,3)4/h7H,5H2,1-4H3,(H,12,13)
InChIKeyNAKFGRDDCWZPSB-UHFFFAOYSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide
CID 89092817
(Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide
CID 144981997
(E)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide
CID 168082244
N-butan-2-yl-2-fluoro-3-methylbut-2-enamide
CID 126995576
N-(2-aminocyclopropyl)-2-fluoro-3-methylbut-2-enamide
CID 130616957
2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide
CID 130667851
N-cyclopropyl-2-fluoro-3-methylbut-2-enamide
CID 130700366
N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide
CID 130884659
N-cyclopropyl-2,3-dimethylbut-2-enamide
CID 19353002
2-(azetidin-3-ylidene)-N-(2,2-dimethylcyclopropyl)propanamide
CID 116677561
N-(1-cyclopropylethyl)-3-methylbut-2-enamide
CID 129911527
3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide
CID 130161634

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide (CID 126994060) is N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide is CC(C)=C(F)C(=O)NC1CC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide?
The InChIKey is NAKFGRDDCWZPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-6(2)8(11)9(13)12-7-5-10(7,3)4/h7H,5H2,1-4H3,(H,12,13).
What are the key properties of N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide?
N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide has a molecular weight of 185.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide is sourced from PubChem (CID 126994060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).