2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone

C14H20N2O — CID 47005237

IUPAC2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-15(11-13-7-3-2-4-8-13)12-14(17)16-9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeySFDCPXNKYRSCFJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.74
Rot. Bonds4

About 2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone

2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 47005237) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID47005237
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)Cc1ccccc1
InChIInChI=1S/C14H20N2O/c1-15(11-13-7-3-2-4-8-13)12-14(17)16-9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3
InChIKeySFDCPXNKYRSCFJ-UHFFFAOYSA-N
XLogP1.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone (CID 47005237) is 2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is SFDCPXNKYRSCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15(11-13-7-3-2-4-8-13)12-14(17)16-9-5-6-10-16/h2-4,7-8H,5-6,9-12H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone?
2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 232.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 47005237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).