N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane

C9H18N2O2 — CID 178011182

IUPACN-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane
SMILESCC.N/C=C/CNC(=O)C1CCO1
InChIInChI=1S/C7H12N2O2.C2H6/c8-3-1-4-9-7(10)6-2-5-11-6;1-2/h1,3,6H,2,4-5,8H2,(H,9,10);1-2H3/b3-1+;
InChIKeyCIABIXAQNLSPJP-KSMVGCCESA-N
MW186.25 g/mol
LogP0.39
Rot. Bonds3

About N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane

N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane (PubChem CID 178011182) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane
PubChem CID178011182
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane
SMILESCC.N/C=C/CNC(=O)C1CCO1
InChIInChI=1S/C7H12N2O2.C2H6/c8-3-1-4-9-7(10)6-2-5-11-6;1-2/h1,3,6H,2,4-5,8H2,(H,9,10);1-2H3/b3-1+;
InChIKeyCIABIXAQNLSPJP-KSMVGCCESA-N
XLogP0.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-but-2-enyl]oxetane-2-carboxamide;ethane
CID 178010834
N-[(E)-but-2-enyl]oxetane-2-carboxamide
CID 178010835
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane?
The IUPAC name of N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane (CID 178011182) is N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane.
What is the SMILES notation for N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane?
The canonical SMILES for N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane is CC.N/C=C/CNC(=O)C1CCO1.
What is the InChIKey of N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane?
The InChIKey is CIABIXAQNLSPJP-KSMVGCCESA-N. The full InChI is InChI=1S/C7H12N2O2.C2H6/c8-3-1-4-9-7(10)6-2-5-11-6;1-2/h1,3,6H,2,4-5,8H2,(H,9,10);1-2H3/b3-1+;.
What are the key properties of N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane?
N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane has a molecular weight of 186.25 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-aminoprop-2-enyl]oxetane-2-carboxamide;ethane is sourced from PubChem (CID 178011182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).