3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one

C11H15N3O2 — CID 63606368

IUPAC3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C11H15N3O2/c1-11(2)10(16)13-6-7-14(11)9(15)8-4-3-5-12-8/h3-5,12H,6-7H2,1-2H3,(H,13,16)
InChIKeyUAJNLZJWDJHBED-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.37
Rot. Bonds1

About 3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one

3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one (PubChem CID 63606368) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
PubChem CID63606368
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C11H15N3O2/c1-11(2)10(16)13-6-7-14(11)9(15)8-4-3-5-12-8/h3-5,12H,6-7H2,1-2H3,(H,13,16)
InChIKeyUAJNLZJWDJHBED-UHFFFAOYSA-N
XLogP0.37
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one (CID 63606368) is 3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1ccc[nH]1.
What is the InChIKey of 3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one?
The InChIKey is UAJNLZJWDJHBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(2)10(16)13-6-7-14(11)9(15)8-4-3-5-12-8/h3-5,12H,6-7H2,1-2H3,(H,13,16).
What are the key properties of 3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 63606368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).