(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride

C9H19ClN2O — CID 66936572

IUPAC(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCNC(=O)[C@@H]1CCCN1CC.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-3-10-9(12)8-6-5-7-11(8)4-2;/h8H,3-7H2,1-2H3,(H,10,12);1H/t8-;/m0./s1
InChIKeyZEIKCLQDHQVIIM-QRPNPIFTSA-N
MW206.72 g/mol
LogP1.03
Rot. Bonds3

About (2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride

(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 66936572) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is (2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID66936572
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride
SMILESCCNC(=O)[C@@H]1CCCN1CC.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-3-10-9(12)8-6-5-7-11(8)4-2;/h8H,3-7H2,1-2H3,(H,10,12);1H/t8-;/m0./s1
InChIKeyZEIKCLQDHQVIIM-QRPNPIFTSA-N
XLogP1.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclopropyl-1-ethylpyrrolidine-2-carboxamide
CID 89087707
CID 66737893
CID 66737893
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CID 19371949
(2S)-N-ethyl-1-nitrosopyrrolidine-2-carboxamide
CID 175675318
(2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
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acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
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(2S)-N-ethyl-1-(2-methylprop-2-enoyl)pyrrolidine-2-carboxamide
CID 14282316
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethylpyrrolidine-2-carboxamide
CID 131911519
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
(2S)-1-ethyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]piperidine-2-carboxamide
CID 96569146
1-ethyl-N-(2-hydroxy-2-phenylpropyl)piperidine-2-carboxamide
CID 111335036

Frequently Asked Questions

What is the IUPAC name of (2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride (CID 66936572) is (2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride is CCNC(=O)[C@@H]1CCCN1CC.Cl.
What is the InChIKey of (2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZEIKCLQDHQVIIM-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-3-10-9(12)8-6-5-7-11(8)4-2;/h8H,3-7H2,1-2H3,(H,10,12);1H/t8-;/m0./s1.
What are the key properties of (2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride?
(2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,1-diethylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 66936572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).