N,N-diethylpyrrolidine-2-carboxamide

C9H18N2O — CID 5036780

IUPACN,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1
InChIInChI=1S/C9H18N2O/c1-3-11(4-2)9(12)8-6-5-7-10-8/h8,10H,3-7H2,1-2H3
InChIKeyLVUPFABYBLEEMH-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds3

About N,N-diethylpyrrolidine-2-carboxamide

N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 5036780) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethylpyrrolidine-2-carboxamide
PubChem CID5036780
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)C1CCCN1
InChIInChI=1S/C9H18N2O/c1-3-11(4-2)9(12)8-6-5-7-10-8/h8,10H,3-7H2,1-2H3
InChIKeyLVUPFABYBLEEMH-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of N,N-diethylpyrrolidine-2-carboxamide (CID 5036780) is N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)C1CCCN1.
What is the InChIKey of N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is LVUPFABYBLEEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-11(4-2)9(12)8-6-5-7-10-8/h8,10H,3-7H2,1-2H3.
What are the key properties of N,N-diethylpyrrolidine-2-carboxamide?
N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 5036780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).