[(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium

C16H22NO+ — CID 142258321

IUPAC[(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium
SMILESC/C=C\C(\C=C\C=C1\CCC(OC)=CC1=[NH2+])=C/C
InChIInChI=1S/C16H21NO/c1-4-7-13(5-2)8-6-9-14-10-11-15(18-3)12-16(14)17/h4-9,12,17H,10-11H2,1-3H3/p+1/b7-4-,8-6+,13-5+,14-9-,17-16?
InChIKeyPJMZNKXGIRKZEM-RQZRKMHUSA-O
MW244.36 g/mol
LogP2.52
Rot. Bonds4

About [(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium

[(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium (PubChem CID 142258321) has the molecular formula C16H22NO+ and a molecular weight of 244.36 g/mol. Its IUPAC name is [(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium.

Molecular Properties

Compound Name[(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium
PubChem CID142258321
Molecular FormulaC16H22NO+
Molecular Weight244.36 g/mol
Exact Mass244.17
IUPAC Name[(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium
SMILESC/C=C\C(\C=C\C=C1\CCC(OC)=CC1=[NH2+])=C/C
InChIInChI=1S/C16H21NO/c1-4-7-13(5-2)8-6-9-14-10-11-15(18-3)12-16(14)17/h4-9,12,17H,10-11H2,1-3H3/p+1/b7-4-,8-6+,13-5+,14-9-,17-16?
InChIKeyPJMZNKXGIRKZEM-RQZRKMHUSA-O
XLogP2.52
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium?
The IUPAC name of [(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium (CID 142258321) is [(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium.
What is the SMILES notation for [(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium?
The canonical SMILES for [(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium is C/C=C\C(\C=C\C=C1\CCC(OC)=CC1=[NH2+])=C/C.
What is the InChIKey of [(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium?
The InChIKey is PJMZNKXGIRKZEM-RQZRKMHUSA-O. The full InChI is InChI=1S/C16H21NO/c1-4-7-13(5-2)8-6-9-14-10-11-15(18-3)12-16(14)17/h4-9,12,17H,10-11H2,1-3H3/p+1/b7-4-,8-6+,13-5+,14-9-,17-16?.
What are the key properties of [(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium?
[(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium has a molecular weight of 244.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-6-[(2E,4E,5Z)-4-ethylidenehepta-2,5-dienylidene]-3-methoxycyclohex-2-en-1-ylidene]azanium is sourced from PubChem (CID 142258321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).