4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide

C11H22N2O — CID 174906357

IUPAC4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)CN1CC(C)(C)CC1C(N)=O
InChIInChI=1S/C11H22N2O/c1-8(2)6-13-7-11(3,4)5-9(13)10(12)14/h8-9H,5-7H2,1-4H3,(H2,12,14)
InChIKeyHPSOERSUGWEQMT-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.23
Rot. Bonds3

About 4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide

4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide (PubChem CID 174906357) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
PubChem CID174906357
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
SMILESCC(C)CN1CC(C)(C)CC1C(N)=O
InChIInChI=1S/C11H22N2O/c1-8(2)6-13-7-11(3,4)5-9(13)10(12)14/h8-9H,5-7H2,1-4H3,(H2,12,14)
InChIKeyHPSOERSUGWEQMT-UHFFFAOYSA-N
XLogP1.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide (CID 174906357) is 4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide is CC(C)CN1CC(C)(C)CC1C(N)=O.
What is the InChIKey of 4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is HPSOERSUGWEQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)6-13-7-11(3,4)5-9(13)10(12)14/h8-9H,5-7H2,1-4H3,(H2,12,14).
What are the key properties of 4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide?
4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 174906357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).