1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide

C7H14N2O — CID 59293963

IUPAC1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide
SMILES[2H]C([2H])([2H])C([2H])([2H])N1CCCC1C(N)=O
InChIInChI=1S/C7H14N2O/c1-2-9-5-3-4-6(9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/i1D3,2D2
InChIKeyLQOASEHNECNLNM-ZBJDZAJPSA-N
MW147.23 g/mol
LogP-0.04
Rot. Bonds3

About 1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide

1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide (PubChem CID 59293963) has the molecular formula C7H14N2O and a molecular weight of 147.23 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide
PubChem CID59293963
Molecular FormulaC7H14N2O
Molecular Weight147.23 g/mol
Exact Mass147.14
IUPAC Name1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide
SMILES[2H]C([2H])([2H])C([2H])([2H])N1CCCC1C(N)=O
InChIInChI=1S/C7H14N2O/c1-2-9-5-3-4-6(9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/i1D3,2D2
InChIKeyLQOASEHNECNLNM-ZBJDZAJPSA-N
XLogP-0.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
CID 58877739
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625
(2S)-1-prop-2-ynylpyrrolidine-2-carboxamide
CID 121226761
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
1-butylpyrrolidine-2-carboxamide
CID 19388617
1-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 62051378
[1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidin-2-yl]methanamine
CID 59293958
(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 45116058
1-(5-oxohexyl)pyrrolidine-2-carboxamide
CID 62050782
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126
ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate
CID 103484289
1-(3-methoxy-2-oxopropyl)piperidine-2-carboxamide
CID 107507306

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide (CID 59293963) is 1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide is [2H]C([2H])([2H])C([2H])([2H])N1CCCC1C(N)=O.
What is the InChIKey of 1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide?
The InChIKey is LQOASEHNECNLNM-ZBJDZAJPSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-9-5-3-4-6(9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/i1D3,2D2.
What are the key properties of 1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide?
1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide has a molecular weight of 147.23 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 59293963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).