1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one

C10H14N2O — CID 15724470

IUPAC1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one
SMILESCn1cccc1CN1CCCC1=O
InChIInChI=1S/C10H14N2O/c1-11-6-2-4-9(11)8-12-7-3-5-10(12)13/h2,4,6H,3,5,7-8H2,1H3
InChIKeyVYMZWRJYFPFGOC-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.15
Rot. Bonds2

About 1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one

1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one (PubChem CID 15724470) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one
PubChem CID15724470
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one
SMILESCn1cccc1CN1CCCC1=O
InChIInChI=1S/C10H14N2O/c1-11-6-2-4-9(11)8-12-7-3-5-10(12)13/h2,4,6H,3,5,7-8H2,1H3
InChIKeyVYMZWRJYFPFGOC-UHFFFAOYSA-N
XLogP1.15
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one (CID 15724470) is 1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one is Cn1cccc1CN1CCCC1=O.
What is the InChIKey of 1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is VYMZWRJYFPFGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-11-6-2-4-9(11)8-12-7-3-5-10(12)13/h2,4,6H,3,5,7-8H2,1H3.
What are the key properties of 1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one?
1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 15724470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).