1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one

C9H18N2O — CID 59464746

IUPAC1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
SMILESCC(C)NCCN1CCCC1=O
InChIInChI=1S/C9H18N2O/c1-8(2)10-5-7-11-6-3-4-9(11)12/h8,10H,3-7H2,1-2H3
InChIKeyQILGQOFDZSTQNF-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds4

About 1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one

1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one (PubChem CID 59464746) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
PubChem CID59464746
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
SMILESCC(C)NCCN1CCCC1=O
InChIInChI=1S/C9H18N2O/c1-8(2)10-5-7-11-6-3-4-9(11)12/h8,10H,3-7H2,1-2H3
InChIKeyQILGQOFDZSTQNF-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one (CID 59464746) is 1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one is CC(C)NCCN1CCCC1=O.
What is the InChIKey of 1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
The InChIKey is QILGQOFDZSTQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2)10-5-7-11-6-3-4-9(11)12/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one?
1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 59464746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).