1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one

C13H24N2O — CID 59346692

IUPAC1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one
SMILESCC(C)=C1N(C(C)C)CC(=O)N(C)C1(C)C
InChIInChI=1S/C13H24N2O/c1-9(2)12-13(5,6)14(7)11(16)8-15(12)10(3)4/h10H,8H2,1-7H3
InChIKeyRTKVKDMMQPJGSN-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.24
Rot. Bonds1

About 1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one

1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one (PubChem CID 59346692) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one.

Molecular Properties

Compound Name1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one
PubChem CID59346692
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one
SMILESCC(C)=C1N(C(C)C)CC(=O)N(C)C1(C)C
InChIInChI=1S/C13H24N2O/c1-9(2)12-13(5,6)14(7)11(16)8-15(12)10(3)4/h10H,8H2,1-7H3
InChIKeyRTKVKDMMQPJGSN-UHFFFAOYSA-N
XLogP2.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one?
The IUPAC name of 1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one (CID 59346692) is 1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one.
What is the SMILES notation for 1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one?
The canonical SMILES for 1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one is CC(C)=C1N(C(C)C)CC(=O)N(C)C1(C)C.
What is the InChIKey of 1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one?
The InChIKey is RTKVKDMMQPJGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9(2)12-13(5,6)14(7)11(16)8-15(12)10(3)4/h10H,8H2,1-7H3.
What are the key properties of 1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one?
1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one has a molecular weight of 224.35 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-4-propan-2-yl-5-propan-2-ylidenepiperazin-2-one is sourced from PubChem (CID 59346692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).