3-amino-3-propylpyrrolidin-2-one

C7H14N2O — CID 155858435

IUPAC3-amino-3-propylpyrrolidin-2-one
SMILESCCCC1(N)CCNC1=O
InChIInChI=1S/C7H14N2O/c1-2-3-7(8)4-5-9-6(7)10/h2-5,8H2,1H3,(H,9,10)
InChIKeyOBRKGUGZVABIJI-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.00
Rot. Bonds2

About 3-amino-3-propylpyrrolidin-2-one

3-amino-3-propylpyrrolidin-2-one (PubChem CID 155858435) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-amino-3-propylpyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-3-propylpyrrolidin-2-one
PubChem CID155858435
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-amino-3-propylpyrrolidin-2-one
SMILESCCCC1(N)CCNC1=O
InChIInChI=1S/C7H14N2O/c1-2-3-7(8)4-5-9-6(7)10/h2-5,8H2,1H3,(H,9,10)
InChIKeyOBRKGUGZVABIJI-UHFFFAOYSA-N
XLogP0.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-propylpyrrolidin-2-one?
The IUPAC name of 3-amino-3-propylpyrrolidin-2-one (CID 155858435) is 3-amino-3-propylpyrrolidin-2-one.
What is the SMILES notation for 3-amino-3-propylpyrrolidin-2-one?
The canonical SMILES for 3-amino-3-propylpyrrolidin-2-one is CCCC1(N)CCNC1=O.
What is the InChIKey of 3-amino-3-propylpyrrolidin-2-one?
The InChIKey is OBRKGUGZVABIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-7(8)4-5-9-6(7)10/h2-5,8H2,1H3,(H,9,10).
What are the key properties of 3-amino-3-propylpyrrolidin-2-one?
3-amino-3-propylpyrrolidin-2-one has a molecular weight of 142.20 g/mol, XLogP of 0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-propylpyrrolidin-2-one is sourced from PubChem (CID 155858435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).