(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol

C17H23NO — CID 129308737

IUPAC(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol
SMILESCC/C=C(\C=C(\C)O)/C=C/C1=CC=C(NC)C=CC1
InChIInChI=1S/C17H23NO/c1-4-6-16(13-14(2)19)10-9-15-7-5-8-17(18-3)12-11-15/h5-6,8-13,18-19H,4,7H2,1-3H3/b10-9+,14-13-,16-6-
InChIKeyYFCSVJXLXDQEDX-CBTZVKGASA-N
MW257.38 g/mol
LogP4.33
Rot. Bonds5

About (2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol

(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol (PubChem CID 129308737) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol
PubChem CID129308737
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol
SMILESCC/C=C(\C=C(\C)O)/C=C/C1=CC=C(NC)C=CC1
InChIInChI=1S/C17H23NO/c1-4-6-16(13-14(2)19)10-9-15-7-5-8-17(18-3)12-11-15/h5-6,8-13,18-19H,4,7H2,1-3H3/b10-9+,14-13-,16-6-
InChIKeyYFCSVJXLXDQEDX-CBTZVKGASA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol?
The IUPAC name of (2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol (CID 129308737) is (2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol.
What is the SMILES notation for (2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol?
The canonical SMILES for (2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol is CC/C=C(\C=C(\C)O)/C=C/C1=CC=C(NC)C=CC1.
What is the InChIKey of (2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol?
The InChIKey is YFCSVJXLXDQEDX-CBTZVKGASA-N. The full InChI is InChI=1S/C17H23NO/c1-4-6-16(13-14(2)19)10-9-15-7-5-8-17(18-3)12-11-15/h5-6,8-13,18-19H,4,7H2,1-3H3/b10-9+,14-13-,16-6-.
What are the key properties of (2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol?
(2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol has a molecular weight of 257.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-[(E)-2-[4-(methylamino)cyclohepta-1,3,5-trien-1-yl]ethenyl]hepta-2,4-dien-2-ol is sourced from PubChem (CID 129308737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).