4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one

C13H22N2O — CID 123163660

IUPAC4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one
SMILESC=C(CCC)C(=CC)N1CCN(C)CC1=O
InChIInChI=1S/C13H22N2O/c1-5-7-11(3)12(6-2)15-9-8-14(4)10-13(15)16/h6H,3,5,7-10H2,1-2,4H3
InChIKeyNCIRLVWYKKLSKE-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.02
Rot. Bonds4

About 4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one

4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one (PubChem CID 123163660) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one.

Molecular Properties

Compound Name4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one
PubChem CID123163660
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one
SMILESC=C(CCC)C(=CC)N1CCN(C)CC1=O
InChIInChI=1S/C13H22N2O/c1-5-7-11(3)12(6-2)15-9-8-14(4)10-13(15)16/h6H,3,5,7-10H2,1-2,4H3
InChIKeyNCIRLVWYKKLSKE-UHFFFAOYSA-N
XLogP2.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one?
The IUPAC name of 4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one (CID 123163660) is 4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one.
What is the SMILES notation for 4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one?
The canonical SMILES for 4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one is C=C(CCC)C(=CC)N1CCN(C)CC1=O.
What is the InChIKey of 4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one?
The InChIKey is NCIRLVWYKKLSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-7-11(3)12(6-2)15-9-8-14(4)10-13(15)16/h6H,3,5,7-10H2,1-2,4H3.
What are the key properties of 4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one?
4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylidenehept-2-en-3-yl)piperazin-2-one is sourced from PubChem (CID 123163660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).