1-(1H-pyrrol-2-yl)pyrrolidin-2-one

C8H10N2O — CID 70434181

IUPAC1-(1H-pyrrol-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc[nH]1
InChIInChI=1S/C8H10N2O/c11-8-4-2-6-10(8)7-3-1-5-9-7/h1,3,5,9H,2,4,6H2
InChIKeyBTUDCDKNQDAFMS-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.14
Rot. Bonds1

About 1-(1H-pyrrol-2-yl)pyrrolidin-2-one

1-(1H-pyrrol-2-yl)pyrrolidin-2-one (PubChem CID 70434181) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)pyrrolidin-2-one
PubChem CID70434181
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-(1H-pyrrol-2-yl)pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc[nH]1
InChIInChI=1S/C8H10N2O/c11-8-4-2-6-10(8)7-3-1-5-9-7/h1,3,5,9H,2,4,6H2
InChIKeyBTUDCDKNQDAFMS-UHFFFAOYSA-N
XLogP1.14
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1H-pyrrol-2-yl)pyrrolidin-2-one (CID 70434181) is 1-(1H-pyrrol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1H-pyrrol-2-yl)pyrrolidin-2-one is O=C1CCCN1c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)pyrrolidin-2-one?
The InChIKey is BTUDCDKNQDAFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-4-2-6-10(8)7-3-1-5-9-7/h1,3,5,9H,2,4,6H2.
What are the key properties of 1-(1H-pyrrol-2-yl)pyrrolidin-2-one?
1-(1H-pyrrol-2-yl)pyrrolidin-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 70434181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).