2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride

C10H18ClFN2O — CID 130697516

IUPAC2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride
SMILESCC(C)=C(F)C(=O)NCC1CCNC1.Cl
InChIInChI=1S/C10H17FN2O.ClH/c1-7(2)9(11)10(14)13-6-8-3-4-12-5-8;/h8,12H,3-6H2,1-2H3,(H,13,14);1H
InChIKeyTWGNBZJFTHTOBV-UHFFFAOYSA-N
MW236.72 g/mol
LogP1.40
Rot. Bonds3

About 2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride

2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride (PubChem CID 130697516) has the molecular formula C10H18ClFN2O and a molecular weight of 236.72 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride
PubChem CID130697516
Molecular FormulaC10H18ClFN2O
Molecular Weight236.72 g/mol
Exact Mass236.11
IUPAC Name2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride
SMILESCC(C)=C(F)C(=O)NCC1CCNC1.Cl
InChIInChI=1S/C10H17FN2O.ClH/c1-7(2)9(11)10(14)13-6-8-3-4-12-5-8;/h8,12H,3-6H2,1-2H3,(H,13,14);1H
InChIKeyTWGNBZJFTHTOBV-UHFFFAOYSA-N
XLogP1.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 172876281
1-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]urea
CID 59006471
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
2-fluoro-N-(pyrrolidin-3-ylmethyl)acetamide
CID 174605600
3,3,3-trifluoro-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564380
methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
CID 117126374
1-(3-hydroxypropyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234379
(2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide
CID 17019739
(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
CID 99978745
N-(pyrrolidin-3-ylmethyl)dodecanamide
CID 80564166
methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
(Z)-3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide
CID 143622632

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride?
The IUPAC name of 2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride (CID 130697516) is 2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride.
What is the SMILES notation for 2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride?
The canonical SMILES for 2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride is CC(C)=C(F)C(=O)NCC1CCNC1.Cl.
What is the InChIKey of 2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride?
The InChIKey is TWGNBZJFTHTOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O.ClH/c1-7(2)9(11)10(14)13-6-8-3-4-12-5-8;/h8,12H,3-6H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride?
2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride is sourced from PubChem (CID 130697516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).