2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one

C9H16N2O — CID 58326860

IUPAC2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one
SMILESC=C1CN(C(=O)C(C)C)CCN1
InChIInChI=1S/C9H16N2O/c1-7(2)9(12)11-5-4-10-8(3)6-11/h7,10H,3-6H2,1-2H3
InChIKeyCYBDAOHAVGLKSQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.59
Rot. Bonds1

About 2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one

2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one (PubChem CID 58326860) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one
PubChem CID58326860
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one
SMILESC=C1CN(C(=O)C(C)C)CCN1
InChIInChI=1S/C9H16N2O/c1-7(2)9(12)11-5-4-10-8(3)6-11/h7,10H,3-6H2,1-2H3
InChIKeyCYBDAOHAVGLKSQ-UHFFFAOYSA-N
XLogP0.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one (CID 58326860) is 2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one is C=C1CN(C(=O)C(C)C)CCN1.
What is the InChIKey of 2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one?
The InChIKey is CYBDAOHAVGLKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)9(12)11-5-4-10-8(3)6-11/h7,10H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one?
2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one has a molecular weight of 168.24 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylidenepiperazin-1-yl)propan-1-one is sourced from PubChem (CID 58326860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).