3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile

C10H17N3O — CID 168658823

IUPAC3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CC(CN)CC1=O
InChIInChI=1S/C10H17N3O/c1-2-9(3-4-11)13-7-8(6-12)5-10(13)14/h8-9H,2-3,5-7,12H2,1H3
InChIKeyGRVBITHAUFIZEZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.49
Rot. Bonds4

About 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile

3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile (PubChem CID 168658823) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile
PubChem CID168658823
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CC(CN)CC1=O
InChIInChI=1S/C10H17N3O/c1-2-9(3-4-11)13-7-8(6-12)5-10(13)14/h8-9H,2-3,5-7,12H2,1H3
InChIKeyGRVBITHAUFIZEZ-UHFFFAOYSA-N
XLogP0.49
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile (CID 168658823) is 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile is CCC(CC#N)N1CC(CN)CC1=O.
What is the InChIKey of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile?
The InChIKey is GRVBITHAUFIZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-9(3-4-11)13-7-8(6-12)5-10(13)14/h8-9H,2-3,5-7,12H2,1H3.
What are the key properties of 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile?
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile has a molecular weight of 195.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 168658823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).