ethenyl-methyl-pent-3-en-2-ylideneazanium

C8H14N+ — CID 123618889

IUPACethenyl-methyl-pent-3-en-2-ylideneazanium
SMILESC=C/[N+](C)=C(\C)C=CC
InChIInChI=1S/C8H14N/c1-5-7-8(3)9(4)6-2/h5-7H,2H2,1,3-4H3/q+1/b7-5?,9-8+
InChIKeyYRNWOUFDBUNWIA-KQEMPYGNSA-N
MW124.21 g/mol
LogP1.81
Rot. Bonds2

About ethenyl-methyl-pent-3-en-2-ylideneazanium

ethenyl-methyl-pent-3-en-2-ylideneazanium (PubChem CID 123618889) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is ethenyl-methyl-pent-3-en-2-ylideneazanium.

Molecular Properties

Compound Nameethenyl-methyl-pent-3-en-2-ylideneazanium
PubChem CID123618889
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Nameethenyl-methyl-pent-3-en-2-ylideneazanium
SMILESC=C/[N+](C)=C(\C)C=CC
InChIInChI=1S/C8H14N/c1-5-7-8(3)9(4)6-2/h5-7H,2H2,1,3-4H3/q+1/b7-5?,9-8+
InChIKeyYRNWOUFDBUNWIA-KQEMPYGNSA-N
XLogP1.81
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.81
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

(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
(4E)-4,6,6-trimethylhepta-2,4-diene
CID 177420463
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259
buta-1,3-dien-2-ol;(3Z)-2-methylpenta-1,3-diene
CID 144612392
(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
CID 89289034
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene
CID 142110830

Frequently Asked Questions

What is the IUPAC name of ethenyl-methyl-pent-3-en-2-ylideneazanium?
The IUPAC name of ethenyl-methyl-pent-3-en-2-ylideneazanium (CID 123618889) is ethenyl-methyl-pent-3-en-2-ylideneazanium.
What is the SMILES notation for ethenyl-methyl-pent-3-en-2-ylideneazanium?
The canonical SMILES for ethenyl-methyl-pent-3-en-2-ylideneazanium is C=C/[N+](C)=C(\C)C=CC.
What is the InChIKey of ethenyl-methyl-pent-3-en-2-ylideneazanium?
The InChIKey is YRNWOUFDBUNWIA-KQEMPYGNSA-N. The full InChI is InChI=1S/C8H14N/c1-5-7-8(3)9(4)6-2/h5-7H,2H2,1,3-4H3/q+1/b7-5?,9-8+.
What are the key properties of ethenyl-methyl-pent-3-en-2-ylideneazanium?
ethenyl-methyl-pent-3-en-2-ylideneazanium has a molecular weight of 124.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methyl-pent-3-en-2-ylideneazanium is sourced from PubChem (CID 123618889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).