1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal

C12H24N2O2 — CID 143147773

IUPAC1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal
SMILESCC(C)C=O.CNCCCN1CCCC1=O
InChIInChI=1S/C8H16N2O.C4H8O/c1-9-5-3-7-10-6-2-4-8(10)11;1-4(2)3-5/h9H,2-7H2,1H3;3-4H,1-2H3
InChIKeyUOWXGHPOGLUJDS-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds5

About 1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal

1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal (PubChem CID 143147773) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal
PubChem CID143147773
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal
SMILESCC(C)C=O.CNCCCN1CCCC1=O
InChIInChI=1S/C8H16N2O.C4H8O/c1-9-5-3-7-10-6-2-4-8(10)11;1-4(2)3-5/h9H,2-7H2,1H3;3-4H,1-2H3
InChIKeyUOWXGHPOGLUJDS-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal?
The IUPAC name of 1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal (CID 143147773) is 1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal.
What is the SMILES notation for 1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal?
The canonical SMILES for 1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal is CC(C)C=O.CNCCCN1CCCC1=O.
What is the InChIKey of 1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal?
The InChIKey is UOWXGHPOGLUJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C4H8O/c1-9-5-3-7-10-6-2-4-8(10)11;1-4(2)3-5/h9H,2-7H2,1H3;3-4H,1-2H3.
What are the key properties of 1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal?
1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal has a molecular weight of 228.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]pyrrolidin-2-one;2-methylpropanal is sourced from PubChem (CID 143147773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).