ethylidene-methyl-prop-2-enylazanium

C6H12N+ — CID 123140192

IUPACethylidene-methyl-prop-2-enylazanium
SMILESC=CC/[N+](C)=C/C
InChIInChI=1S/C6H12N/c1-4-6-7(3)5-2/h4-5H,1,6H2,2-3H3/q+1/b7-5+
InChIKeyXNMZCUUKANJSMY-FNORWQNLSA-N
MW98.17 g/mol
LogP0.91
Rot. Bonds2

About ethylidene-methyl-prop-2-enylazanium

ethylidene-methyl-prop-2-enylazanium (PubChem CID 123140192) has the molecular formula C6H12N+ and a molecular weight of 98.17 g/mol. Its IUPAC name is ethylidene-methyl-prop-2-enylazanium.

Molecular Properties

Compound Nameethylidene-methyl-prop-2-enylazanium
PubChem CID123140192
Molecular FormulaC6H12N+
Molecular Weight98.17 g/mol
Exact Mass98.10
IUPAC Nameethylidene-methyl-prop-2-enylazanium
SMILESC=CC/[N+](C)=C/C
InChIInChI=1S/C6H12N/c1-4-6-7(3)5-2/h4-5H,1,6H2,2-3H3/q+1/b7-5+
InChIKeyXNMZCUUKANJSMY-FNORWQNLSA-N
XLogP0.91
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-en-1-amine;zinc;hydrochloride
CID 174943881
ethanamine;prop-1-ene
CID 142862814
prop-1-ene
CID 162178440
1,2-difluoroethane;ethene;prop-1-ene
CID 158325721
prop-1-ene;prop-2-enylsilane
CID 174483592
fluoromethane;prop-2-en-1-amine
CID 173426164
CID 12603478
CID 12603478
hex-5-en-2-yl-methyl-methylideneazanium
CID 123858998
bis(ethylidene(dimethyl)azanium) difluoride
CID 141287550
2-methylpropane;prop-2-en-1-amine
CID 161130166
3-chloroprop-1-ene;prop-1-ene;hydrochloride
CID 173189425
but-1-ene;but-2-ene;prop-1-ene
CID 160918287

Frequently Asked Questions

What is the IUPAC name of ethylidene-methyl-prop-2-enylazanium?
The IUPAC name of ethylidene-methyl-prop-2-enylazanium (CID 123140192) is ethylidene-methyl-prop-2-enylazanium.
What is the SMILES notation for ethylidene-methyl-prop-2-enylazanium?
The canonical SMILES for ethylidene-methyl-prop-2-enylazanium is C=CC/[N+](C)=C/C.
What is the InChIKey of ethylidene-methyl-prop-2-enylazanium?
The InChIKey is XNMZCUUKANJSMY-FNORWQNLSA-N. The full InChI is InChI=1S/C6H12N/c1-4-6-7(3)5-2/h4-5H,1,6H2,2-3H3/q+1/b7-5+.
What are the key properties of ethylidene-methyl-prop-2-enylazanium?
ethylidene-methyl-prop-2-enylazanium has a molecular weight of 98.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene-methyl-prop-2-enylazanium is sourced from PubChem (CID 123140192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).