2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde

C13H29N2O3+ — CID 142358939

IUPAC2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde
SMILESCC(=O)C[NH3+].COC(C)(C)C.O=CN1CCCC1
InChIInChI=1S/C5H9NO.C5H12O.C3H7NO/c7-5-6-3-1-2-4-6;1-5(2,3)6-4;1-3(5)2-4/h5H,1-4H2;1-4H3;2,4H2,1H3/p+1
InChIKeyHYMQDHJDOUDUDO-UHFFFAOYSA-O
MW261.39 g/mol
LogP0.49
Rot. Bonds2

About 2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde

2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde (PubChem CID 142358939) has the molecular formula C13H29N2O3+ and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde
PubChem CID142358939
Molecular FormulaC13H29N2O3+
Molecular Weight261.39 g/mol
Exact Mass261.22
IUPAC Name2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde
SMILESCC(=O)C[NH3+].COC(C)(C)C.O=CN1CCCC1
InChIInChI=1S/C5H9NO.C5H12O.C3H7NO/c7-5-6-3-1-2-4-6;1-5(2,3)6-4;1-3(5)2-4/h5H,1-4H2;1-4H3;2,4H2,1H3/p+1
InChIKeyHYMQDHJDOUDUDO-UHFFFAOYSA-O
XLogP0.49
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde (CID 142358939) is 2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde is CC(=O)C[NH3+].COC(C)(C)C.O=CN1CCCC1.
What is the InChIKey of 2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde?
The InChIKey is HYMQDHJDOUDUDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9NO.C5H12O.C3H7NO/c7-5-6-3-1-2-4-6;1-5(2,3)6-4;1-3(5)2-4/h5H,1-4H2;1-4H3;2,4H2,1H3/p+1.
What are the key properties of 2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde?
2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde has a molecular weight of 261.39 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropane;2-oxopropylazanium;pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 142358939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).