N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

C9H16BrClN2O — CID 119755038

IUPACN-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESC=C(Br)CNC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C9H15BrN2O.ClH/c1-7(10)5-12-8(13)9(2)3-4-11-6-9;/h11H,1,3-6H2,2H3,(H,12,13);1H
InChIKeyGDIPVQOVLIXDFZ-UHFFFAOYSA-N
MW283.60 g/mol
LogP1.43
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride

N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119755038) has the molecular formula C9H16BrClN2O and a molecular weight of 283.60 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119755038
Molecular FormulaC9H16BrClN2O
Molecular Weight283.60 g/mol
Exact Mass282.01
IUPAC NameN-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESC=C(Br)CNC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C9H15BrN2O.ClH/c1-7(10)5-12-8(13)9(2)3-4-11-6-9;/h11H,1,3-6H2,2H3,(H,12,13);1H
InChIKeyGDIPVQOVLIXDFZ-UHFFFAOYSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.60
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119755038) is N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is C=C(Br)CNC(=O)C1(C)CCNC1.Cl.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is GDIPVQOVLIXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O.ClH/c1-7(10)5-12-8(13)9(2)3-4-11-6-9;/h11H,1,3-6H2,2H3,(H,12,13);1H.
What are the key properties of N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride?
N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 283.60 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119755038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).