3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one

C11H17N3O — CID 177099944

IUPAC3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one
SMILESCC(C)C1NCCN(C2=CC=NC2)C1=O
InChIInChI=1S/C11H17N3O/c1-8(2)10-11(15)14(6-5-13-10)9-3-4-12-7-9/h3-4,8,10,13H,5-7H2,1-2H3
InChIKeyYKTYBDNDAQMFQW-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.41
Rot. Bonds2

About 3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one

3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one (PubChem CID 177099944) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one
PubChem CID177099944
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one
SMILESCC(C)C1NCCN(C2=CC=NC2)C1=O
InChIInChI=1S/C11H17N3O/c1-8(2)10-11(15)14(6-5-13-10)9-3-4-12-7-9/h3-4,8,10,13H,5-7H2,1-2H3
InChIKeyYKTYBDNDAQMFQW-UHFFFAOYSA-N
XLogP0.41
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]piperazin-2-one
CID 134406472
1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one;ethane
CID 145198420
1-[3-[(Z)-but-2-en-2-yl]iminoprop-1-en-2-yl]-3,3-dimethylpiperazin-2-one
CID 145198421

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one?
The IUPAC name of 3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one (CID 177099944) is 3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one.
What is the SMILES notation for 3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one?
The canonical SMILES for 3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one is CC(C)C1NCCN(C2=CC=NC2)C1=O.
What is the InChIKey of 3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one?
The InChIKey is YKTYBDNDAQMFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)10-11(15)14(6-5-13-10)9-3-4-12-7-9/h3-4,8,10,13H,5-7H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one?
3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2H-pyrrol-3-yl)piperazin-2-one is sourced from PubChem (CID 177099944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).