1-amino-3-pentylpyrrolidin-2-one

C9H18N2O — CID 67860888

IUPAC1-amino-3-pentylpyrrolidin-2-one
SMILESCCCCCC1CCN(N)C1=O
InChIInChI=1S/C9H18N2O/c1-2-3-4-5-8-6-7-11(10)9(8)12/h8H,2-7,10H2,1H3
InChIKeyVWCFBJKNDUZBDL-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.29
Rot. Bonds4

About 1-amino-3-pentylpyrrolidin-2-one

1-amino-3-pentylpyrrolidin-2-one (PubChem CID 67860888) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-amino-3-pentylpyrrolidin-2-one.

Molecular Properties

Compound Name1-amino-3-pentylpyrrolidin-2-one
PubChem CID67860888
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-amino-3-pentylpyrrolidin-2-one
SMILESCCCCCC1CCN(N)C1=O
InChIInChI=1S/C9H18N2O/c1-2-3-4-5-8-6-7-11(10)9(8)12/h8H,2-7,10H2,1H3
InChIKeyVWCFBJKNDUZBDL-UHFFFAOYSA-N
XLogP1.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-pentylpyrrolidin-2-one?
The IUPAC name of 1-amino-3-pentylpyrrolidin-2-one (CID 67860888) is 1-amino-3-pentylpyrrolidin-2-one.
What is the SMILES notation for 1-amino-3-pentylpyrrolidin-2-one?
The canonical SMILES for 1-amino-3-pentylpyrrolidin-2-one is CCCCCC1CCN(N)C1=O.
What is the InChIKey of 1-amino-3-pentylpyrrolidin-2-one?
The InChIKey is VWCFBJKNDUZBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-4-5-8-6-7-11(10)9(8)12/h8H,2-7,10H2,1H3.
What are the key properties of 1-amino-3-pentylpyrrolidin-2-one?
1-amino-3-pentylpyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-pentylpyrrolidin-2-one is sourced from PubChem (CID 67860888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).