(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone

C15H28N2O — CID 83073569

IUPAC(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(CC)CCN(C(=O)C2(CC)CCCN2)C1
InChIInChI=1S/C15H28N2O/c1-4-14(5-2)9-11-17(12-14)13(18)15(6-3)8-7-10-16-15/h16H,4-12H2,1-3H3
InChIKeySJDRMEOIGHHZPQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds4

About (3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone

(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone (PubChem CID 83073569) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
PubChem CID83073569
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
SMILESCCC1(CC)CCN(C(=O)C2(CC)CCCN2)C1
InChIInChI=1S/C15H28N2O/c1-4-14(5-2)9-11-17(12-14)13(18)15(6-3)8-7-10-16-15/h16H,4-12H2,1-3H3
InChIKeySJDRMEOIGHHZPQ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The IUPAC name of (3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone (CID 83073569) is (3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone is CCC1(CC)CCN(C(=O)C2(CC)CCCN2)C1.
What is the InChIKey of (3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone?
The InChIKey is SJDRMEOIGHHZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-14(5-2)9-11-17(12-14)13(18)15(6-3)8-7-10-16-15/h16H,4-12H2,1-3H3.
What are the key properties of (3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone?
(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 83073569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).