methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium

C12H14NO+ — CID 143963198

IUPACmethoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium
SMILESC=C(/C=C\[N+](=C)OC)c1ccccc1
InChIInChI=1S/C12H14NO/c1-11(9-10-13(2)14-3)12-7-5-4-6-8-12/h4-10H,1-2H2,3H3/q+1/b10-9-
InChIKeyZMAJAWPLMPPXFU-KTKRTIGZSA-N
MW188.25 g/mol
LogP2.49
Rot. Bonds4

About methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium

methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium (PubChem CID 143963198) has the molecular formula C12H14NO+ and a molecular weight of 188.25 g/mol. Its IUPAC name is methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium.

Molecular Properties

Compound Namemethoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium
PubChem CID143963198
Molecular FormulaC12H14NO+
Molecular Weight188.25 g/mol
Exact Mass188.11
IUPAC Namemethoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium
SMILESC=C(/C=C\[N+](=C)OC)c1ccccc1
InChIInChI=1S/C12H14NO/c1-11(9-10-13(2)14-3)12-7-5-4-6-8-12/h4-10H,1-2H2,3H3/q+1/b10-9-
InChIKeyZMAJAWPLMPPXFU-KTKRTIGZSA-N
XLogP2.49
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

ethane;[(3Z)-penta-1,3-dien-2-yl]benzene
CID 142853648
(1Z)-3-phenylbuta-1,3-dien-1-amine
CID 118909189
(1E,3E)-5-phenylhexa-1,3,5-trien-1-ol
CID 173058434
ethane;methoxymethane;prop-1-en-2-ylbenzene
CID 160714954
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207
1-methyl-2-[(1Z)-3-phenylbuta-1,3-dienyl]pyridin-1-ium
CID 92529986
[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 143067180
ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
dimethyl-bis(1-phenylethenyl)germane
CID 13022105
[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]benzene
CID 144607664
1-[(1E)-3-phenylbuta-1,3-dienyl]pyrazole
CID 135060716

Frequently Asked Questions

What is the IUPAC name of methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium?
The IUPAC name of methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium (CID 143963198) is methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium.
What is the SMILES notation for methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium?
The canonical SMILES for methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium is C=C(/C=C\[N+](=C)OC)c1ccccc1.
What is the InChIKey of methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium?
The InChIKey is ZMAJAWPLMPPXFU-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H14NO/c1-11(9-10-13(2)14-3)12-7-5-4-6-8-12/h4-10H,1-2H2,3H3/q+1/b10-9-.
What are the key properties of methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium?
methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium has a molecular weight of 188.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-methylidene-[(1Z)-3-phenylbuta-1,3-dienyl]azanium is sourced from PubChem (CID 143963198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).