methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium

C9H16N+ — CID 123554348

IUPACmethyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium
SMILESC=C(C)/[N+](C)=C(\C)C=CC
InChIInChI=1S/C9H16N/c1-6-7-9(4)10(5)8(2)3/h6-7H,2H2,1,3-5H3/q+1/b7-6?,10-9+
InChIKeyYVCABVPGKHGBGT-VGAVRCOMSA-N
MW138.23 g/mol
LogP2.20
Rot. Bonds2

About methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium

methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium (PubChem CID 123554348) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium.

Molecular Properties

Compound Namemethyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium
PubChem CID123554348
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Namemethyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium
SMILESC=C(C)/[N+](C)=C(\C)C=CC
InChIInChI=1S/C9H16N/c1-6-7-9(4)10(5)8(2)3/h6-7H,2H2,1,3-5H3/q+1/b7-6?,10-9+
InChIKeyYVCABVPGKHGBGT-VGAVRCOMSA-N
XLogP2.20
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-tetramethyl-4-quinonediiminium dication
CID 169616
(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 88984410
dimagnesium;hydride;bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 129892958
Methylidene-1-cyclohexa-2,5-dienylidene-dimethylazanium chloride
CID 132275617
[(E)-4-(dimethylamino)pent-3-en-2-ylidene]-dimethylazanium perchlorate
CID 134868405
manganese(2+);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 162406733
Cyclohexa-2,5-dien-1-ylidene(dimethyl)azanium
CID 23064131
[(Z)-4-tert-butyliminopent-2-en-2-yl]-methylazanide
CID 58104802
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
CID 58104814
tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 59137871
(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
Cyclohexa-2,5-dien-1-ylidene(diethyl)azanium
CID 68384674

Frequently Asked Questions

What is the IUPAC name of methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium?
The IUPAC name of methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium (CID 123554348) is methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium.
What is the SMILES notation for methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium?
The canonical SMILES for methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium is C=C(C)/[N+](C)=C(\C)C=CC.
What is the InChIKey of methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium?
The InChIKey is YVCABVPGKHGBGT-VGAVRCOMSA-N. The full InChI is InChI=1S/C9H16N/c1-6-7-9(4)10(5)8(2)3/h6-7H,2H2,1,3-5H3/q+1/b7-6?,10-9+.
What are the key properties of methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium?
methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium has a molecular weight of 138.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium is sourced from PubChem (CID 123554348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).