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

C9H16N2O — CID 54177837

IUPAC3,3-dimethyl-1-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCNC(C)(C)C1=O
InChIInChI=1S/C9H16N2O/c1-4-6-11-7-5-10-9(2,3)8(11)12/h4,10H,1,5-7H2,2-3H3
InChIKeyOZRPKSQSGHGRBB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds2

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

3,3-dimethyl-1-prop-2-enylpiperazin-2-one (PubChem CID 54177837) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,3-dimethyl-1-prop-2-enylpiperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-prop-2-enylpiperazin-2-one
PubChem CID54177837
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3,3-dimethyl-1-prop-2-enylpiperazin-2-one
SMILESC=CCN1CCNC(C)(C)C1=O
InChIInChI=1S/C9H16N2O/c1-4-6-11-7-5-10-9(2,3)8(11)12/h4,10H,1,5-7H2,2-3H3
InChIKeyOZRPKSQSGHGRBB-UHFFFAOYSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
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 3,3-dimethyl-1-prop-2-enylpiperazin-2-one?
The IUPAC name of 3,3-dimethyl-1-prop-2-enylpiperazin-2-one (CID 54177837) is 3,3-dimethyl-1-prop-2-enylpiperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-prop-2-enylpiperazin-2-one?
The canonical SMILES for 3,3-dimethyl-1-prop-2-enylpiperazin-2-one is C=CCN1CCNC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-prop-2-enylpiperazin-2-one?
The InChIKey is OZRPKSQSGHGRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-6-11-7-5-10-9(2,3)8(11)12/h4,10H,1,5-7H2,2-3H3.
What are the key properties of 3,3-dimethyl-1-prop-2-enylpiperazin-2-one?
3,3-dimethyl-1-prop-2-enylpiperazin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-prop-2-enylpiperazin-2-one is sourced from PubChem (CID 54177837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).