4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile

C16H24N4O — CID 100768751

IUPAC4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile
SMILESCCCCCc1c(N)cc(C#N)n1CC(=O)N1CCCC1
InChIInChI=1S/C16H24N4O/c1-2-3-4-7-15-14(18)10-13(11-17)20(15)12-16(21)19-8-5-6-9-19/h10H,2-9,12,18H2,1H3
InChIKeyGHTJDKRXEHDOAG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.30
Rot. Bonds6

About 4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile

4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile (PubChem CID 100768751) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile
PubChem CID100768751
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile
SMILESCCCCCc1c(N)cc(C#N)n1CC(=O)N1CCCC1
InChIInChI=1S/C16H24N4O/c1-2-3-4-7-15-14(18)10-13(11-17)20(15)12-16(21)19-8-5-6-9-19/h10H,2-9,12,18H2,1H3
InChIKeyGHTJDKRXEHDOAG-UHFFFAOYSA-N
XLogP2.30
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile?
The IUPAC name of 4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile (CID 100768751) is 4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile?
The canonical SMILES for 4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile is CCCCCc1c(N)cc(C#N)n1CC(=O)N1CCCC1.
What is the InChIKey of 4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile?
The InChIKey is GHTJDKRXEHDOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-3-4-7-15-14(18)10-13(11-17)20(15)12-16(21)19-8-5-6-9-19/h10H,2-9,12,18H2,1H3.
What are the key properties of 4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile?
4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile has a molecular weight of 288.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-pentylpyrrole-2-carbonitrile is sourced from PubChem (CID 100768751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).