N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide

C12H14N2O2 — CID 64990546

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
SMILESO=CNCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C12H14N2O2/c15-9-13-8-10-3-5-11(6-4-10)14-7-1-2-12(14)16/h3-6,9H,1-2,7-8H2,(H,13,15)
InChIKeyDGKZNMGPEURLIB-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.06
Rot. Bonds4

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide (PubChem CID 64990546) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
PubChem CID64990546
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide
SMILESO=CNCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C12H14N2O2/c15-9-13-8-10-3-5-11(6-4-10)14-7-1-2-12(14)16/h3-6,9H,1-2,7-8H2,(H,13,15)
InChIKeyDGKZNMGPEURLIB-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide (CID 64990546) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide is O=CNCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide?
The InChIKey is DGKZNMGPEURLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-9-13-8-10-3-5-11(6-4-10)14-7-1-2-12(14)16/h3-6,9H,1-2,7-8H2,(H,13,15).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide has a molecular weight of 218.26 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]formamide is sourced from PubChem (CID 64990546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).