1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one

C21H43N3O — CID 157050071

IUPAC1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CCNC1.CC(C)N1CCCC1.CC(C)N1CCCC1=O
InChIInChI=1S/C7H13NO.2C7H15N/c1-6(2)8-5-3-4-7(8)9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8/h6H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyAACBSJPWLWQUQY-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.76
Rot. Bonds3

About 1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one

1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one (PubChem CID 157050071) has the molecular formula C21H43N3O and a molecular weight of 353.60 g/mol. Its IUPAC name is 1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one
PubChem CID157050071
Molecular FormulaC21H43N3O
Molecular Weight353.60 g/mol
Exact Mass353.34
IUPAC Name1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CCNC1.CC(C)N1CCCC1.CC(C)N1CCCC1=O
InChIInChI=1S/C7H13NO.2C7H15N/c1-6(2)8-5-3-4-7(8)9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8/h6H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyAACBSJPWLWQUQY-UHFFFAOYSA-N
XLogP3.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one (CID 157050071) is 1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one is CC(C)C1CCNC1.CC(C)N1CCCC1.CC(C)N1CCCC1=O.
What is the InChIKey of 1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one?
The InChIKey is AACBSJPWLWQUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.2C7H15N/c1-6(2)8-5-3-4-7(8)9;1-6(2)7-3-4-8-5-7;1-7(2)8-5-3-4-6-8/h6H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one?
1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one has a molecular weight of 353.60 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 157050071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).