N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

C9H15ClF2N2O — CID 130639711

IUPACN-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESC=CC(C)NC(=O)C1CC(F)(F)CN1.Cl
InChIInChI=1S/C9H14F2N2O.ClH/c1-3-6(2)13-8(14)7-4-9(10,11)5-12-7;/h3,6-7,12H,1,4-5H2,2H3,(H,13,14);1H
InChIKeyKVECGWJOUJFLNT-UHFFFAOYSA-N
MW240.68 g/mol
LogP1.10
Rot. Bonds3

About N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 130639711) has the molecular formula C9H15ClF2N2O and a molecular weight of 240.68 g/mol. Its IUPAC name is N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID130639711
Molecular FormulaC9H15ClF2N2O
Molecular Weight240.68 g/mol
Exact Mass240.08
IUPAC NameN-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESC=CC(C)NC(=O)C1CC(F)(F)CN1.Cl
InChIInChI=1S/C9H14F2N2O.ClH/c1-3-6(2)13-8(14)7-4-9(10,11)5-12-7;/h3,6-7,12H,1,4-5H2,2H3,(H,13,14);1H
InChIKeyKVECGWJOUJFLNT-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.68
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (CID 130639711) is N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is C=CC(C)NC(=O)C1CC(F)(F)CN1.Cl.
What is the InChIKey of N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is KVECGWJOUJFLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O.ClH/c1-3-6(2)13-8(14)7-4-9(10,11)5-12-7;/h3,6-7,12H,1,4-5H2,2H3,(H,13,14);1H.
What are the key properties of N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 240.68 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130639711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).