N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide

C9H17BrN2O — CID 106441576

IUPACN-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide
SMILESCN(CCCBr)C(=O)N1CCCC1
InChIInChI=1S/C9H17BrN2O/c1-11(6-4-5-10)9(13)12-7-2-3-8-12/h2-8H2,1H3
InChIKeyDIRODULPPFPGLC-UHFFFAOYSA-N
MW249.15 g/mol
LogP1.92
Rot. Bonds3

About N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide

N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide (PubChem CID 106441576) has the molecular formula C9H17BrN2O and a molecular weight of 249.15 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide
PubChem CID106441576
Molecular FormulaC9H17BrN2O
Molecular Weight249.15 g/mol
Exact Mass248.05
IUPAC NameN-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide
SMILESCN(CCCBr)C(=O)N1CCCC1
InChIInChI=1S/C9H17BrN2O/c1-11(6-4-5-10)9(13)12-7-2-3-8-12/h2-8H2,1H3
InChIKeyDIRODULPPFPGLC-UHFFFAOYSA-N
XLogP1.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide (CID 106441576) is N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide is CN(CCCBr)C(=O)N1CCCC1.
What is the InChIKey of N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide?
The InChIKey is DIRODULPPFPGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2O/c1-11(6-4-5-10)9(13)12-7-2-3-8-12/h2-8H2,1H3.
What are the key properties of N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide?
N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide has a molecular weight of 249.15 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 106441576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).