4-(cyclopropanecarboximidoyl)piperazin-2-one

C8H13N3O — CID 63178688

IUPAC4-(cyclopropanecarboximidoyl)piperazin-2-one
SMILES[H]/N=C(\C1CC1)N1CCNC(=O)C1
InChIInChI=1S/C8H13N3O/c9-8(6-1-2-6)11-4-3-10-7(12)5-11/h6,9H,1-5H2,(H,10,12)/b9-8+
InChIKeyGRJDYSQRERUNFT-CMDGGOBGSA-N
MW167.21 g/mol
LogP-0.19
Rot. Bonds1

About 4-(cyclopropanecarboximidoyl)piperazin-2-one

4-(cyclopropanecarboximidoyl)piperazin-2-one (PubChem CID 63178688) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(cyclopropanecarboximidoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(cyclopropanecarboximidoyl)piperazin-2-one
PubChem CID63178688
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(cyclopropanecarboximidoyl)piperazin-2-one
SMILES[H]/N=C(\C1CC1)N1CCNC(=O)C1
InChIInChI=1S/C8H13N3O/c9-8(6-1-2-6)11-4-3-10-7(12)5-11/h6,9H,1-5H2,(H,10,12)/b9-8+
InChIKeyGRJDYSQRERUNFT-CMDGGOBGSA-N
XLogP-0.19
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarboximidoyl)piperazin-2-one?
The IUPAC name of 4-(cyclopropanecarboximidoyl)piperazin-2-one (CID 63178688) is 4-(cyclopropanecarboximidoyl)piperazin-2-one.
What is the SMILES notation for 4-(cyclopropanecarboximidoyl)piperazin-2-one?
The canonical SMILES for 4-(cyclopropanecarboximidoyl)piperazin-2-one is [H]/N=C(\C1CC1)N1CCNC(=O)C1.
What is the InChIKey of 4-(cyclopropanecarboximidoyl)piperazin-2-one?
The InChIKey is GRJDYSQRERUNFT-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8(6-1-2-6)11-4-3-10-7(12)5-11/h6,9H,1-5H2,(H,10,12)/b9-8+.
What are the key properties of 4-(cyclopropanecarboximidoyl)piperazin-2-one?
4-(cyclopropanecarboximidoyl)piperazin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarboximidoyl)piperazin-2-one is sourced from PubChem (CID 63178688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).