2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine

C11H18N2O3 — CID 87386883

IUPAC2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine
SMILESC1CNCCN1.O=C=C1CCCC1C(=O)O
InChIInChI=1S/C7H8O3.C4H10N2/c8-4-5-2-1-3-6(5)7(9)10;1-2-6-4-3-5-1/h6H,1-3H2,(H,9,10);5-6H,1-4H2
InChIKeyNHOXKXMPTOWSCK-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.19
Rot. Bonds1

About 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine

2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine (PubChem CID 87386883) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine.

Molecular Properties

Compound Name2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine
PubChem CID87386883
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine
SMILESC1CNCCN1.O=C=C1CCCC1C(=O)O
InChIInChI=1S/C7H8O3.C4H10N2/c8-4-5-2-1-3-6(5)7(9)10;1-2-6-4-3-5-1/h6H,1-3H2,(H,9,10);5-6H,1-4H2
InChIKeyNHOXKXMPTOWSCK-UHFFFAOYSA-N
XLogP-0.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine?
The IUPAC name of 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine (CID 87386883) is 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine.
What is the SMILES notation for 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine?
The canonical SMILES for 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine is C1CNCCN1.O=C=C1CCCC1C(=O)O.
What is the InChIKey of 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine?
The InChIKey is NHOXKXMPTOWSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3.C4H10N2/c8-4-5-2-1-3-6(5)7(9)10;1-2-6-4-3-5-1/h6H,1-3H2,(H,9,10);5-6H,1-4H2.
What are the key properties of 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine?
2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine has a molecular weight of 226.28 g/mol, XLogP of -0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxomethylidene)cyclopentane-1-carboxylic acid;piperazine is sourced from PubChem (CID 87386883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).