5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one

C9H17N3O — CID 112546349

IUPAC5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one
SMILESCC1CNC(=O)N(C2CCCN2)C1
InChIInChI=1S/C9H17N3O/c1-7-5-11-9(13)12(6-7)8-3-2-4-10-8/h7-8,10H,2-6H2,1H3,(H,11,13)
InChIKeyCCZCXGWJTRBFSB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.36
Rot. Bonds1

About 5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one

5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one (PubChem CID 112546349) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one
PubChem CID112546349
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one
SMILESCC1CNC(=O)N(C2CCCN2)C1
InChIInChI=1S/C9H17N3O/c1-7-5-11-9(13)12(6-7)8-3-2-4-10-8/h7-8,10H,2-6H2,1H3,(H,11,13)
InChIKeyCCZCXGWJTRBFSB-UHFFFAOYSA-N
XLogP0.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-pyrrolidin-2-ylpiperidin-2-one
CID 112546332
1-piperidin-2-ylimidazolidin-2-one
CID 112546311
1-pyrrolidin-2-ylazetidin-2-one
CID 112546295
5-methyl-1-piperidin-2-ylazepan-2-one
CID 112546578
1,5-dimethyl-1,3-diazinan-2-one
CID 51000285
2-methyl-1-pyrrolidin-2-yl-1,4-diazepane-5,7-dione
CID 112546600
4-pyrrolidin-2-ylthiomorpholin-3-one
CID 112546378
3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one
CID 112546665
1-methyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione
CID 112546342
5-methyl-1-[(3R)-piperidin-3-yl]piperidin-2-one
CID 166162657
1-cyclopropyl-3-pyrrolidin-2-ylimidazolidine-2,4-dione
CID 112546551
3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
CID 103500242

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one?
The IUPAC name of 5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one (CID 112546349) is 5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one is CC1CNC(=O)N(C2CCCN2)C1.
What is the InChIKey of 5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one?
The InChIKey is CCZCXGWJTRBFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-5-11-9(13)12(6-7)8-3-2-4-10-8/h7-8,10H,2-6H2,1H3,(H,11,13).
What are the key properties of 5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one?
5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyrrolidin-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 112546349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).