ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide

C12H29N3O2 — CID 143879707

IUPACethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide
SMILESCC.CC.CCN.NC(=O)[C@@H]1CCCN1C=O
InChIInChI=1S/C6H10N2O2.C2H7N.2C2H6/c7-6(10)5-2-1-3-8(5)4-9;1-2-3;2*1-2/h4-5H,1-3H2,(H2,7,10);2-3H2,1H3;2*1-2H3/t5-;;;/m0.../s1
InChIKeyOPFAHQXFKFFVSO-BHRFRFAJSA-N
MW247.38 g/mol
LogP1.11
Rot. Bonds2

About ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide

ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide (PubChem CID 143879707) has the molecular formula C12H29N3O2 and a molecular weight of 247.38 g/mol. Its IUPAC name is ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Nameethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide
PubChem CID143879707
Molecular FormulaC12H29N3O2
Molecular Weight247.38 g/mol
Exact Mass247.23
IUPAC Nameethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide
SMILESCC.CC.CCN.NC(=O)[C@@H]1CCCN1C=O
InChIInChI=1S/C6H10N2O2.C2H7N.2C2H6/c7-6(10)5-2-1-3-8(5)4-9;1-2-3;2*1-2/h4-5H,1-3H2,(H2,7,10);2-3H2,1H3;2*1-2H3/t5-;;;/m0.../s1
InChIKeyOPFAHQXFKFFVSO-BHRFRFAJSA-N
XLogP1.11
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-formylpyrrolidine-2-carboxamide
CID 144804081
ethyl 1-formylpyrrolidine-2-carboxylate
CID 18469486
(2S)-1-ethenylpyrrolidine-2-carboxamide
CID 142882543
N,N-diethyl-1-formylpiperidine-2-carboxamide
CID 87627372
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
(2S)-1-formylpiperidine-2-carboxylic acid
CID 65439701
1-(2-oxoethyl)pyrrolidine-2-carboxamide
CID 62051378
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
amino-[3-(propan-2-ylamino)phenyl]methanol;(2S)-1-formylpyrrolidine-2-carboxamide
CID 143675560
acetic acid;(2S)-1-ethylpyrrolidine-2-carboxamide
CID 67308625

Frequently Asked Questions

What is the IUPAC name of ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide?
The IUPAC name of ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide (CID 143879707) is ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide.
What is the SMILES notation for ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide?
The canonical SMILES for ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide is CC.CC.CCN.NC(=O)[C@@H]1CCCN1C=O.
What is the InChIKey of ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide?
The InChIKey is OPFAHQXFKFFVSO-BHRFRFAJSA-N. The full InChI is InChI=1S/C6H10N2O2.C2H7N.2C2H6/c7-6(10)5-2-1-3-8(5)4-9;1-2-3;2*1-2/h4-5H,1-3H2,(H2,7,10);2-3H2,1H3;2*1-2H3/t5-;;;/m0.../s1.
What are the key properties of ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide?
ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide has a molecular weight of 247.38 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethane;(2S)-1-formylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143879707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).