(3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone

C14H26N2O — CID 164632222

IUPAC(3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone
SMILESCCC1(CC)CCN(C(=O)[C@]2(C)CCCN2)C1
InChIInChI=1S/C14H26N2O/c1-4-14(5-2)8-10-16(11-14)12(17)13(3)7-6-9-15-13/h15H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyXBDYXOBDAPECAY-ZDUSSCGKSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds3

About (3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone

(3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone (PubChem CID 164632222) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone
PubChem CID164632222
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone
SMILESCCC1(CC)CCN(C(=O)[C@]2(C)CCCN2)C1
InChIInChI=1S/C14H26N2O/c1-4-14(5-2)8-10-16(11-14)12(17)13(3)7-6-9-15-13/h15H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyXBDYXOBDAPECAY-ZDUSSCGKSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
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)-[(2S)-2-methylpyrrolidin-2-yl]methanone?
The IUPAC name of (3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone (CID 164632222) is (3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone?
The canonical SMILES for (3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone is CCC1(CC)CCN(C(=O)[C@]2(C)CCCN2)C1.
What is the InChIKey of (3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone?
The InChIKey is XBDYXOBDAPECAY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-14(5-2)8-10-16(11-14)12(17)13(3)7-6-9-15-13/h15H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone?
(3,3-diethylpyrrolidin-1-yl)-[(2S)-2-methylpyrrolidin-2-yl]methanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 3 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)-[(2S)-2-methylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 164632222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).