4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one

C9H18N2O — CID 84653847

IUPAC4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C)(CN)CC1=O
InChIInChI=1S/C9H18N2O/c1-7(2)11-6-9(3,5-10)4-8(11)12/h7H,4-6,10H2,1-3H3
InChIKeyWLIGSWOAGULWJS-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds2

About 4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one

4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one (PubChem CID 84653847) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one
PubChem CID84653847
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C)(CN)CC1=O
InChIInChI=1S/C9H18N2O/c1-7(2)11-6-9(3,5-10)4-8(11)12/h7H,4-6,10H2,1-3H3
InChIKeyWLIGSWOAGULWJS-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one (CID 84653847) is 4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C)(CN)CC1=O.
What is the InChIKey of 4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is WLIGSWOAGULWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-6-9(3,5-10)4-8(11)12/h7H,4-6,10H2,1-3H3.
What are the key properties of 4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one?
4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 84653847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).