3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide

C9H18N2O — CID 115687226

IUPAC3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCCC1CCN(C(=O)N(C)C)C1
InChIInChI=1S/C9H18N2O/c1-4-8-5-6-11(7-8)9(12)10(2)3/h8H,4-7H2,1-3H3
InChIKeyZRRRVGBAGOWDCB-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.40
Rot. Bonds1

About 3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide

3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 115687226) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID115687226
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCCC1CCN(C(=O)N(C)C)C1
InChIInChI=1S/C9H18N2O/c1-4-8-5-6-11(7-8)9(12)10(2)3/h8H,4-7H2,1-3H3
InChIKeyZRRRVGBAGOWDCB-UHFFFAOYSA-N
XLogP1.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide (CID 115687226) is 3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide is CCC1CCN(C(=O)N(C)C)C1.
What is the InChIKey of 3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is ZRRRVGBAGOWDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-8-5-6-11(7-8)9(12)10(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide?
3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 115687226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).