N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide

C11H15BrN2OS — CID 63143434

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(Br)s2)CCNC1
InChIInChI=1S/C11H15BrN2OS/c1-11(4-5-13-7-11)10(15)14-6-8-2-3-9(12)16-8/h2-3,13H,4-7H2,1H3,(H,14,15)
InChIKeyODOGDJYVLJNWPS-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.13
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide

N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 63143434) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID63143434
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCc2ccc(Br)s2)CCNC1
InChIInChI=1S/C11H15BrN2OS/c1-11(4-5-13-7-11)10(15)14-6-8-2-3-9(12)16-8/h2-3,13H,4-7H2,1H3,(H,14,15)
InChIKeyODOGDJYVLJNWPS-UHFFFAOYSA-N
XLogP2.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide (CID 63143434) is N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide is CC1(C(=O)NCc2ccc(Br)s2)CCNC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is ODOGDJYVLJNWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-11(4-5-13-7-11)10(15)14-6-8-2-3-9(12)16-8/h2-3,13H,4-7H2,1H3,(H,14,15).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63143434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).