3,4,5-tris(methylamino)cyclopent-2-en-1-one

C8H15N3O — CID 174460445

IUPAC3,4,5-tris(methylamino)cyclopent-2-en-1-one
SMILESCNC1=CC(=O)C(NC)C1NC
InChIInChI=1S/C8H15N3O/c1-9-5-4-6(12)8(11-3)7(5)10-2/h4,7-11H,1-3H3
InChIKeyWZLAUUQQFMTITQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP-1.15
Rot. Bonds3

About 3,4,5-tris(methylamino)cyclopent-2-en-1-one

3,4,5-tris(methylamino)cyclopent-2-en-1-one (PubChem CID 174460445) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3,4,5-tris(methylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3,4,5-tris(methylamino)cyclopent-2-en-1-one
PubChem CID174460445
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3,4,5-tris(methylamino)cyclopent-2-en-1-one
SMILESCNC1=CC(=O)C(NC)C1NC
InChIInChI=1S/C8H15N3O/c1-9-5-4-6(12)8(11-3)7(5)10-2/h4,7-11H,1-3H3
InChIKeyWZLAUUQQFMTITQ-UHFFFAOYSA-N
XLogP-1.15
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(methylamino)cyclopent-2-en-1-one?
The IUPAC name of 3,4,5-tris(methylamino)cyclopent-2-en-1-one (CID 174460445) is 3,4,5-tris(methylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3,4,5-tris(methylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3,4,5-tris(methylamino)cyclopent-2-en-1-one is CNC1=CC(=O)C(NC)C1NC.
What is the InChIKey of 3,4,5-tris(methylamino)cyclopent-2-en-1-one?
The InChIKey is WZLAUUQQFMTITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-9-5-4-6(12)8(11-3)7(5)10-2/h4,7-11H,1-3H3.
What are the key properties of 3,4,5-tris(methylamino)cyclopent-2-en-1-one?
3,4,5-tris(methylamino)cyclopent-2-en-1-one has a molecular weight of 169.23 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(methylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 174460445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).