3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one

C14H26N2O — CID 119039818

IUPAC3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(NC1CCN(C(C)C)C1=O)C1CC1(C)C
InChIInChI=1S/C14H26N2O/c1-9(2)16-7-6-12(13(16)17)15-10(3)11-8-14(11,4)5/h9-12,15H,6-8H2,1-5H3
InChIKeyMXNCGYOIBPNKLM-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds4

About 3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one

3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 119039818) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one
PubChem CID119039818
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(NC1CCN(C(C)C)C1=O)C1CC1(C)C
InChIInChI=1S/C14H26N2O/c1-9(2)16-7-6-12(13(16)17)15-10(3)11-8-14(11,4)5/h9-12,15H,6-8H2,1-5H3
InChIKeyMXNCGYOIBPNKLM-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one (CID 119039818) is 3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one is CC(NC1CCN(C(C)C)C1=O)C1CC1(C)C.
What is the InChIKey of 3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is MXNCGYOIBPNKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-9(2)16-7-6-12(13(16)17)15-10(3)11-8-14(11,4)5/h9-12,15H,6-8H2,1-5H3.
What are the key properties of 3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one?
3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 238.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylcyclopropyl)ethylamino]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 119039818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).