(Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium

C8H14NO+ — CID 59886712

IUPAC(Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium
SMILESC/C=[N+](O)/C=C(C)\C=C\C
InChIInChI=1S/C8H14NO/c1-4-6-8(3)7-9(10)5-2/h4-7,10H,1-3H3/q+1/b6-4+,8-7-,9-5-
InChIKeyRDOZVNOJOOTNCT-MRXOWIMESA-N
MW140.21 g/mol
LogP1.96
Rot. Bonds2

About (Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium

(Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium (PubChem CID 59886712) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is (Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium.

Molecular Properties

Compound Name(Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium
PubChem CID59886712
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Name(Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium
SMILESC/C=[N+](O)/C=C(C)\C=C\C
InChIInChI=1S/C8H14NO/c1-4-6-8(3)7-9(10)5-2/h4-7,10H,1-3H3/q+1/b6-4+,8-7-,9-5-
InChIKeyRDOZVNOJOOTNCT-MRXOWIMESA-N
XLogP1.96
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium with MolForge

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Related Compounds

(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
(4E,6Z)-2,5-dimethylocta-2,4,6-triene
CID 124560377
(4E)-4,6,6-trimethylhepta-2,4-diene
CID 177420463
(1Z,3Z)-1-hydroperoxy-2-methylpenta-1,3-diene
CID 146537584
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
4-methylhepta-3,5-dien-2-amine
CID 123570929
(2E,4E)-N,3-dimethylhexa-2,4-dien-1-amine
CID 55299916
ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene
CID 144635902
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590

Frequently Asked Questions

What is the IUPAC name of (Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium?
The IUPAC name of (Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium (CID 59886712) is (Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium.
What is the SMILES notation for (Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium?
The canonical SMILES for (Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium is C/C=[N+](O)/C=C(C)\C=C\C.
What is the InChIKey of (Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium?
The InChIKey is RDOZVNOJOOTNCT-MRXOWIMESA-N. The full InChI is InChI=1S/C8H14NO/c1-4-6-8(3)7-9(10)5-2/h4-7,10H,1-3H3/q+1/b6-4+,8-7-,9-5-.
What are the key properties of (Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium?
(Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium has a molecular weight of 140.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium is sourced from PubChem (CID 59886712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).