methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium

C8H20N2O — CID 161259918

IUPACmethane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium
SMILESC.C.C=CCNC(=O)C[NH2+][CH2-]
InChIInChI=1S/C6H12N2O.2CH4/c1-3-4-8-6(9)5-7-2;;/h3H,1-2,4-5,7H2,(H,8,9);2*1H4
InChIKeyVCKNLCIYGZKOMJ-UHFFFAOYSA-N
MW160.26 g/mol
LogP-0.08
Rot. Bonds4

About methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium

methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium (PubChem CID 161259918) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium.

Molecular Properties

Compound Namemethane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium
PubChem CID161259918
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Namemethane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium
SMILESC.C.C=CCNC(=O)C[NH2+][CH2-]
InChIInChI=1S/C6H12N2O.2CH4/c1-3-4-8-6(9)5-7-2;;/h3H,1-2,4-5,7H2,(H,8,9);2*1H4
InChIKeyVCKNLCIYGZKOMJ-UHFFFAOYSA-N
XLogP-0.08
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
N~1~,N~2~-diallylethanediamide
CID 241033
N-(2-Amino-2-oxoethyl)acrylamide
CID 20038864
2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
N-[2-(diethylamino)ethyl]acrylamide monohydrochloride
CID 3018509
2-amino-N-(prop-2-en-1-yl)acetamide hydrochloride
CID 53410800
2-amino-N-(prop-2-en-1-yl)acetamide
CID 18446443
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)amino]-, chloride
CID 9855713
N~2~-Prop-2-en-1-ylglycinamide
CID 18474081
2-(Acryloylamino)-N,N,N-triethylethan-1-aminium chloride
CID 21902338
Allyloxamid
CID 22736542

Frequently Asked Questions

What is the IUPAC name of methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium?
The IUPAC name of methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium (CID 161259918) is methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium.
What is the SMILES notation for methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium?
The canonical SMILES for methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium is C.C.C=CCNC(=O)C[NH2+][CH2-].
What is the InChIKey of methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium?
The InChIKey is VCKNLCIYGZKOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.2CH4/c1-3-4-8-6(9)5-7-2;;/h3H,1-2,4-5,7H2,(H,8,9);2*1H4.
What are the key properties of methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium?
methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium has a molecular weight of 160.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanidyl-[2-oxo-2-(prop-2-enylamino)ethyl]azanium is sourced from PubChem (CID 161259918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).