2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile

C11H17N3O — CID 65496483

IUPAC2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCC2CCC(=O)N2)CC1
InChIInChI=1S/C11H17N3O/c12-6-5-11(3-4-11)8-13-7-9-1-2-10(15)14-9/h9,13H,1-5,7-8H2,(H,14,15)
InChIKeyAAQDCLDZPVAFBU-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.55
Rot. Bonds5

About 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile

2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65496483) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65496483
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CNCC2CCC(=O)N2)CC1
InChIInChI=1S/C11H17N3O/c12-6-5-11(3-4-11)8-13-7-9-1-2-10(15)14-9/h9,13H,1-5,7-8H2,(H,14,15)
InChIKeyAAQDCLDZPVAFBU-UHFFFAOYSA-N
XLogP0.55
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile (CID 65496483) is 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile is N#CCC1(CNCC2CCC(=O)N2)CC1.
What is the InChIKey of 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is AAQDCLDZPVAFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-5-11(3-4-11)8-13-7-9-1-2-10(15)14-9/h9,13H,1-5,7-8H2,(H,14,15).
What are the key properties of 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 207.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65496483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).