1-(5-oxohexyl)pyrrolidine-2-carboxamide

C11H20N2O2 — CID 62050782

IUPAC1-(5-oxohexyl)pyrrolidine-2-carboxamide
SMILESCC(=O)CCCCN1CCCC1C(N)=O
InChIInChI=1S/C11H20N2O2/c1-9(14)5-2-3-7-13-8-4-6-10(13)11(12)15/h10H,2-8H2,1H3,(H2,12,15)
InChIKeyWMWVHVKKLCUIKS-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.70
Rot. Bonds6

About 1-(5-oxohexyl)pyrrolidine-2-carboxamide

1-(5-oxohexyl)pyrrolidine-2-carboxamide (PubChem CID 62050782) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(5-oxohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-oxohexyl)pyrrolidine-2-carboxamide
PubChem CID62050782
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(5-oxohexyl)pyrrolidine-2-carboxamide
SMILESCC(=O)CCCCN1CCCC1C(N)=O
InChIInChI=1S/C11H20N2O2/c1-9(14)5-2-3-7-13-8-4-6-10(13)11(12)15/h10H,2-8H2,1H3,(H2,12,15)
InChIKeyWMWVHVKKLCUIKS-UHFFFAOYSA-N
XLogP0.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butylpyrrolidine-2-carboxamide
CID 19388617
(2S)-1-[4,5-dioxo-5-(4-oxopentylamino)pentyl]pyrrolidine-2-carboxamide
CID 160509958
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126
(2S)-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 45116058
(2R)-1-(2-aminoethyl)pyrrolidine-2-carboxamide
CID 28822969
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625
1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 142928283
tert-butyl N-[4-[(2S)-2-carbamoylpyrrolidin-1-yl]butyl]carbamate
CID 54459116
1-(1,1,2,2,2-pentadeuterioethyl)pyrrolidine-2-carboxamide
CID 59293963
(2R)-1-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
CID 58877739
(2S)-5-[[(2S)-4-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-oxobutan-2-yl]amino]-5-oxo-2-(18-oxononadecanoylamino)pentanoic acid
CID 175624365
(2,5-dioxopyrrolidin-1-yl) 4-[(2S)-2-carbamoylpyrrolidin-1-yl]butanoate
CID 160509957

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-oxohexyl)pyrrolidine-2-carboxamide (CID 62050782) is 1-(5-oxohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-oxohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-oxohexyl)pyrrolidine-2-carboxamide is CC(=O)CCCCN1CCCC1C(N)=O.
What is the InChIKey of 1-(5-oxohexyl)pyrrolidine-2-carboxamide?
The InChIKey is WMWVHVKKLCUIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(14)5-2-3-7-13-8-4-6-10(13)11(12)15/h10H,2-8H2,1H3,(H2,12,15).
What are the key properties of 1-(5-oxohexyl)pyrrolidine-2-carboxamide?
1-(5-oxohexyl)pyrrolidine-2-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 62050782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).