methyl(prop-2-enyl)azanium;prop-1-ene

C7H16N+ — CID 142088856

IUPACmethyl(prop-2-enyl)azanium;prop-1-ene
SMILESC=CC.C=CC[NH2+]C
InChIInChI=1S/C4H9N.C3H6/c1-3-4-5-2;1-3-2/h3,5H,1,4H2,2H3;3H,1H2,2H3/p+1
InChIKeyHXZSIDVZNQJYGO-UHFFFAOYSA-O
MW114.21 g/mol
LogP0.56
Rot. Bonds2

About methyl(prop-2-enyl)azanium;prop-1-ene

methyl(prop-2-enyl)azanium;prop-1-ene (PubChem CID 142088856) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is methyl(prop-2-enyl)azanium;prop-1-ene.

Molecular Properties

Compound Namemethyl(prop-2-enyl)azanium;prop-1-ene
PubChem CID142088856
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Namemethyl(prop-2-enyl)azanium;prop-1-ene
SMILESC=CC.C=CC[NH2+]C
InChIInChI=1S/C4H9N.C3H6/c1-3-4-5-2;1-3-2/h3,5H,1,4H2,2H3;3H,1H2,2H3/p+1
InChIKeyHXZSIDVZNQJYGO-UHFFFAOYSA-O
XLogP0.56
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

prop-1-ene;prop-2-enylsilane
CID 174483592
prop-1-ene
CID 162178440
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
ethane;tetrakis(prop-1-ene)
CID 90918926
azane;tris(prop-1-ene)
CID 162019717
ethane;bis(prop-1-ene)
CID 91426438
azane;tris(prop-1-ene)
CID 173323353
prop-1-ene;hydrochloride
CID 19097823
bis(prop-1-ene);hydrate
CID 21257591
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 methyl(prop-2-enyl)azanium;prop-1-ene?
The IUPAC name of methyl(prop-2-enyl)azanium;prop-1-ene (CID 142088856) is methyl(prop-2-enyl)azanium;prop-1-ene.
What is the SMILES notation for methyl(prop-2-enyl)azanium;prop-1-ene?
The canonical SMILES for methyl(prop-2-enyl)azanium;prop-1-ene is C=CC.C=CC[NH2+]C.
What is the InChIKey of methyl(prop-2-enyl)azanium;prop-1-ene?
The InChIKey is HXZSIDVZNQJYGO-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N.C3H6/c1-3-4-5-2;1-3-2/h3,5H,1,4H2,2H3;3H,1H2,2H3/p+1.
What are the key properties of methyl(prop-2-enyl)azanium;prop-1-ene?
methyl(prop-2-enyl)azanium;prop-1-ene has a molecular weight of 114.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(prop-2-enyl)azanium;prop-1-ene is sourced from PubChem (CID 142088856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).