2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one

C14H24N2O2 — CID 21338898

IUPAC2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1CCCN1C(=O)C1CCCN1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)12(17)11-7-5-9-16(11)13(18)10-6-4-8-15-10/h10-11,15H,4-9H2,1-3H3
InChIKeyHMFQQMBDOLFRFE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.34
Rot. Bonds2

About 2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one

2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one (PubChem CID 21338898) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one
PubChem CID21338898
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1CCCN1C(=O)C1CCCN1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)12(17)11-7-5-9-16(11)13(18)10-6-4-8-15-10/h10-11,15H,4-9H2,1-3H3
InChIKeyHMFQQMBDOLFRFE-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one (CID 21338898) is 2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one is CC(C)(C)C(=O)C1CCCN1C(=O)C1CCCN1.
What is the InChIKey of 2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one?
The InChIKey is HMFQQMBDOLFRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)12(17)11-7-5-9-16(11)13(18)10-6-4-8-15-10/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one?
2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one has a molecular weight of 252.36 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]propan-1-one is sourced from PubChem (CID 21338898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).