hexane;1-propanoylpyrrolidine-2-carboxamide

C14H28N2O2 — CID 145081493

IUPAChexane;1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCCC1C(N)=O.CCCCCC
InChIInChI=1S/C8H14N2O2.C6H14/c1-2-7(11)10-5-3-4-6(10)8(9)12;1-3-5-6-4-2/h6H,2-5H2,1H3,(H2,9,12);3-6H2,1-2H3
InChIKeyPKLPDKZQQMZSME-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.46
Rot. Bonds5

About hexane;1-propanoylpyrrolidine-2-carboxamide

hexane;1-propanoylpyrrolidine-2-carboxamide (PubChem CID 145081493) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is hexane;1-propanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Namehexane;1-propanoylpyrrolidine-2-carboxamide
PubChem CID145081493
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namehexane;1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCCC1C(N)=O.CCCCCC
InChIInChI=1S/C8H14N2O2.C6H14/c1-2-7(11)10-5-3-4-6(10)8(9)12;1-3-5-6-4-2/h6H,2-5H2,1H3,(H2,9,12);3-6H2,1-2H3
InChIKeyPKLPDKZQQMZSME-UHFFFAOYSA-N
XLogP2.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-propanoylpiperidine-2-carboxamide
CID 60717244
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
N'-hydroxy-1-propanoylpyrrolidine-2-carboximidamide
CID 77036368
(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 145005819
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
(2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide
CID 94171194
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539

Frequently Asked Questions

What is the IUPAC name of hexane;1-propanoylpyrrolidine-2-carboxamide?
The IUPAC name of hexane;1-propanoylpyrrolidine-2-carboxamide (CID 145081493) is hexane;1-propanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for hexane;1-propanoylpyrrolidine-2-carboxamide?
The canonical SMILES for hexane;1-propanoylpyrrolidine-2-carboxamide is CCC(=O)N1CCCC1C(N)=O.CCCCCC.
What is the InChIKey of hexane;1-propanoylpyrrolidine-2-carboxamide?
The InChIKey is PKLPDKZQQMZSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.C6H14/c1-2-7(11)10-5-3-4-6(10)8(9)12;1-3-5-6-4-2/h6H,2-5H2,1H3,(H2,9,12);3-6H2,1-2H3.
What are the key properties of hexane;1-propanoylpyrrolidine-2-carboxamide?
hexane;1-propanoylpyrrolidine-2-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;1-propanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 145081493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).