5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile

C9H15N3O — CID 106188995

IUPAC5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile
SMILESN#CCCCCNC1CNC(=O)C1
InChIInChI=1S/C9H15N3O/c10-4-2-1-3-5-11-8-6-9(13)12-7-8/h8,11H,1-3,5-7H2,(H,12,13)
InChIKeyFYWVGKMKMXZKJX-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.16
Rot. Bonds5

About 5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile

5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile (PubChem CID 106188995) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile.

Molecular Properties

Compound Name5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile
PubChem CID106188995
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile
SMILESN#CCCCCNC1CNC(=O)C1
InChIInChI=1S/C9H15N3O/c10-4-2-1-3-5-11-8-6-9(13)12-7-8/h8,11H,1-3,5-7H2,(H,12,13)
InChIKeyFYWVGKMKMXZKJX-UHFFFAOYSA-N
XLogP0.16
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-cyclopropylethylamino)pyrrolidin-2-one
CID 106189081
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
3-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 105036476
4-(prop-2-ynylamino)pyrrolidin-2-one
CID 106184297
4-[2-(tert-butylamino)ethylamino]pyrrolidin-2-one
CID 106182603
1-[2-[(5-oxopyrrolidin-3-yl)amino]ethyl]imidazolidin-2-one
CID 106189480
5-(pentylamino)piperidin-2-one
CID 63662049
2,2-dimethyl-5-[(6-oxopiperidin-3-yl)amino]pentanenitrile
CID 65254440
2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 106189208
5-[(3,5-dimethylcyclohexyl)amino]pentanenitrile
CID 64734426
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]pyrrolidin-2-one
CID 114155915
5-[(2,6-dimethyloxan-4-yl)amino]pentanenitrile
CID 115906976

Frequently Asked Questions

What is the IUPAC name of 5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile?
The IUPAC name of 5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile (CID 106188995) is 5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile.
What is the SMILES notation for 5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile?
The canonical SMILES for 5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile is N#CCCCCNC1CNC(=O)C1.
What is the InChIKey of 5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile?
The InChIKey is FYWVGKMKMXZKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-4-2-1-3-5-11-8-6-9(13)12-7-8/h8,11H,1-3,5-7H2,(H,12,13).
What are the key properties of 5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile?
5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile has a molecular weight of 181.24 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-oxopyrrolidin-3-yl)amino]pentanenitrile is sourced from PubChem (CID 106188995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).