[(5R)-5-methylpiperazin-2-ylidene]methanone

C6H10N2O — CID 176520564

IUPAC[(5R)-5-methylpiperazin-2-ylidene]methanone
SMILESC[C@@H]1CNC(=C=O)CN1
InChIInChI=1S/C6H10N2O/c1-5-2-8-6(4-9)3-7-5/h5,7-8H,2-3H2,1H3/t5-/m1/s1
InChIKeyUDTNKBGDZHTNQT-RXMQYKEDSA-N
MW126.16 g/mol
LogP-0.72
Rot. Bonds

About [(5R)-5-methylpiperazin-2-ylidene]methanone

[(5R)-5-methylpiperazin-2-ylidene]methanone (PubChem CID 176520564) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is [(5R)-5-methylpiperazin-2-ylidene]methanone.

Molecular Properties

Compound Name[(5R)-5-methylpiperazin-2-ylidene]methanone
PubChem CID176520564
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name[(5R)-5-methylpiperazin-2-ylidene]methanone
SMILESC[C@@H]1CNC(=C=O)CN1
InChIInChI=1S/C6H10N2O/c1-5-2-8-6(4-9)3-7-5/h5,7-8H,2-3H2,1H3/t5-/m1/s1
InChIKeyUDTNKBGDZHTNQT-RXMQYKEDSA-N
XLogP-0.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5R)-5-methylpiperazin-2-ylidene]methanone?
The IUPAC name of [(5R)-5-methylpiperazin-2-ylidene]methanone (CID 176520564) is [(5R)-5-methylpiperazin-2-ylidene]methanone.
What is the SMILES notation for [(5R)-5-methylpiperazin-2-ylidene]methanone?
The canonical SMILES for [(5R)-5-methylpiperazin-2-ylidene]methanone is C[C@@H]1CNC(=C=O)CN1.
What is the InChIKey of [(5R)-5-methylpiperazin-2-ylidene]methanone?
The InChIKey is UDTNKBGDZHTNQT-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5-2-8-6(4-9)3-7-5/h5,7-8H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of [(5R)-5-methylpiperazin-2-ylidene]methanone?
[(5R)-5-methylpiperazin-2-ylidene]methanone has a molecular weight of 126.16 g/mol, XLogP of -0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-methylpiperazin-2-ylidene]methanone is sourced from PubChem (CID 176520564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).