1,4-dimethyl-3-prop-2-enylpiperazin-2-one

C9H16N2O — CID 58860707

IUPAC1,4-dimethyl-3-prop-2-enylpiperazin-2-one
SMILESC=CCC1C(=O)N(C)CCN1C
InChIInChI=1S/C9H16N2O/c1-4-5-8-9(12)11(3)7-6-10(8)2/h4,8H,1,5-7H2,2-3H3
InChIKeyWAYWTCYMSVYONT-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.33
Rot. Bonds2

About 1,4-dimethyl-3-prop-2-enylpiperazin-2-one

1,4-dimethyl-3-prop-2-enylpiperazin-2-one (PubChem CID 58860707) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1,4-dimethyl-3-prop-2-enylpiperazin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-prop-2-enylpiperazin-2-one
PubChem CID58860707
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1,4-dimethyl-3-prop-2-enylpiperazin-2-one
SMILESC=CCC1C(=O)N(C)CCN1C
InChIInChI=1S/C9H16N2O/c1-4-5-8-9(12)11(3)7-6-10(8)2/h4,8H,1,5-7H2,2-3H3
InChIKeyWAYWTCYMSVYONT-UHFFFAOYSA-N
XLogP0.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-prop-2-enylpiperazin-2-one?
The IUPAC name of 1,4-dimethyl-3-prop-2-enylpiperazin-2-one (CID 58860707) is 1,4-dimethyl-3-prop-2-enylpiperazin-2-one.
What is the SMILES notation for 1,4-dimethyl-3-prop-2-enylpiperazin-2-one?
The canonical SMILES for 1,4-dimethyl-3-prop-2-enylpiperazin-2-one is C=CCC1C(=O)N(C)CCN1C.
What is the InChIKey of 1,4-dimethyl-3-prop-2-enylpiperazin-2-one?
The InChIKey is WAYWTCYMSVYONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-5-8-9(12)11(3)7-6-10(8)2/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 1,4-dimethyl-3-prop-2-enylpiperazin-2-one?
1,4-dimethyl-3-prop-2-enylpiperazin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-prop-2-enylpiperazin-2-one is sourced from PubChem (CID 58860707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).