methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde

C10H20N4O2 — CID 144875694

IUPACmethanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde
SMILESCN.CN1CCN(C2CN(C=O)C2)C(=O)C1
InChIInChI=1S/C9H15N3O2.CH5N/c1-10-2-3-12(9(14)6-10)8-4-11(5-8)7-13;1-2/h7-8H,2-6H2,1H3;2H2,1H3
InChIKeyWRHQNKOXPCMYHN-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.82
Rot. Bonds2

About methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde

methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde (PubChem CID 144875694) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde.

Molecular Properties

Compound Namemethanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde
PubChem CID144875694
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Namemethanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde
SMILESCN.CN1CCN(C2CN(C=O)C2)C(=O)C1
InChIInChI=1S/C9H15N3O2.CH5N/c1-10-2-3-12(9(14)6-10)8-4-11(5-8)7-13;1-2/h7-8H,2-6H2,1H3;2H2,1H3
InChIKeyWRHQNKOXPCMYHN-UHFFFAOYSA-N
XLogP-1.82
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde?
The IUPAC name of methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde (CID 144875694) is methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde.
What is the SMILES notation for methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde?
The canonical SMILES for methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde is CN.CN1CCN(C2CN(C=O)C2)C(=O)C1.
What is the InChIKey of methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde?
The InChIKey is WRHQNKOXPCMYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2.CH5N/c1-10-2-3-12(9(14)6-10)8-4-11(5-8)7-13;1-2/h7-8H,2-6H2,1H3;2H2,1H3.
What are the key properties of methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde?
methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde has a molecular weight of 228.30 g/mol, XLogP of -1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;3-(4-methyl-2-oxopiperazin-1-yl)azetidine-1-carbaldehyde is sourced from PubChem (CID 144875694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).