3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one

C10H19NO — CID 21018613

IUPAC3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CCC(C)(C)C1=O
InChIInChI=1S/C10H19NO/c1-8(2)7-11-6-5-10(3,4)9(11)12/h8H,5-7H2,1-4H3
InChIKeyBXKUFHNUDPHSAB-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds2

About 3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one

3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 21018613) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID21018613
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CCC(C)(C)C1=O
InChIInChI=1S/C10H19NO/c1-8(2)7-11-6-5-10(3,4)9(11)12/h8H,5-7H2,1-4H3
InChIKeyBXKUFHNUDPHSAB-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one (CID 21018613) is 3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1CCC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is BXKUFHNUDPHSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)7-11-6-5-10(3,4)9(11)12/h8H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one?
3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 21018613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).