1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide

C13H23N3O2 — CID 114081922

IUPAC1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N2CCC(C)(C(N)=O)C2)CCNC1
InChIInChI=1S/C13H23N3O2/c1-3-13(4-6-15-8-13)11(18)16-7-5-12(2,9-16)10(14)17/h15H,3-9H2,1-2H3,(H2,14,17)
InChIKeyDLBGZSCBFQCODO-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.10
Rot. Bonds3

About 1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide

1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 114081922) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID114081922
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N2CCC(C)(C(N)=O)C2)CCNC1
InChIInChI=1S/C13H23N3O2/c1-3-13(4-6-15-8-13)11(18)16-7-5-12(2,9-16)10(14)17/h15H,3-9H2,1-2H3,(H2,14,17)
InChIKeyDLBGZSCBFQCODO-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide (CID 114081922) is 1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide is CCC1(C(=O)N2CCC(C)(C(N)=O)C2)CCNC1.
What is the InChIKey of 1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is DLBGZSCBFQCODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-13(4-6-15-8-13)11(18)16-7-5-12(2,9-16)10(14)17/h15H,3-9H2,1-2H3,(H2,14,17).
What are the key properties of 1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide?
1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidine-3-carbonyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114081922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).