1-[(tert-butylamino)methyl]pyrrolidin-2-one

C9H18N2O — CID 10329742

IUPAC1-[(tert-butylamino)methyl]pyrrolidin-2-one
SMILESCC(C)(C)NCN1CCCC1=O
InChIInChI=1S/C9H18N2O/c1-9(2,3)10-7-11-6-4-5-8(11)12/h10H,4-7H2,1-3H3
InChIKeyCGFUXKJLPQJYRP-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.95
Rot. Bonds2

About 1-[(tert-butylamino)methyl]pyrrolidin-2-one

1-[(tert-butylamino)methyl]pyrrolidin-2-one (PubChem CID 10329742) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(tert-butylamino)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(tert-butylamino)methyl]pyrrolidin-2-one
PubChem CID10329742
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(tert-butylamino)methyl]pyrrolidin-2-one
SMILESCC(C)(C)NCN1CCCC1=O
InChIInChI=1S/C9H18N2O/c1-9(2,3)10-7-11-6-4-5-8(11)12/h10H,4-7H2,1-3H3
InChIKeyCGFUXKJLPQJYRP-UHFFFAOYSA-N
XLogP0.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(tert-butylamino)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(tert-butylamino)methyl]pyrrolidin-2-one (CID 10329742) is 1-[(tert-butylamino)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(tert-butylamino)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(tert-butylamino)methyl]pyrrolidin-2-one is CC(C)(C)NCN1CCCC1=O.
What is the InChIKey of 1-[(tert-butylamino)methyl]pyrrolidin-2-one?
The InChIKey is CGFUXKJLPQJYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)10-7-11-6-4-5-8(11)12/h10H,4-7H2,1-3H3.
What are the key properties of 1-[(tert-butylamino)methyl]pyrrolidin-2-one?
1-[(tert-butylamino)methyl]pyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(tert-butylamino)methyl]pyrrolidin-2-one is sourced from PubChem (CID 10329742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).