1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile

C12H21N3O2 — CID 142063765

IUPAC1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)CNCCCCCO
InChIInChI=1S/C12H21N3O2/c13-9-11-5-4-7-15(11)12(17)10-14-6-2-1-3-8-16/h11,14,16H,1-8,10H2
InChIKeyHZRJORAFXFVLDO-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.25
Rot. Bonds7

About 1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile

1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile (PubChem CID 142063765) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile
PubChem CID142063765
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1C(=O)CNCCCCCO
InChIInChI=1S/C12H21N3O2/c13-9-11-5-4-7-15(11)12(17)10-14-6-2-1-3-8-16/h11,14,16H,1-8,10H2
InChIKeyHZRJORAFXFVLDO-UHFFFAOYSA-N
XLogP0.25
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
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 1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile (CID 142063765) is 1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile is N#CC1CCCN1C(=O)CNCCCCCO.
What is the InChIKey of 1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile?
The InChIKey is HZRJORAFXFVLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-9-11-5-4-7-15(11)12(17)10-14-6-2-1-3-8-16/h11,14,16H,1-8,10H2.
What are the key properties of 1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile?
1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-hydroxypentylamino)acetyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 142063765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).