N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine

C23H25NO — CID 166775486

IUPACN-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine
SMILESC=C/C=C(\C=C/C/C=c1/oc2c(/c1=C/C)CC=C2)NC1C=CC=CC1
InChIInChI=1S/C23H25NO/c1-3-11-18(24-19-12-6-5-7-13-19)14-8-9-16-22-20(4-2)21-15-10-17-23(21)25-22/h3-8,10-12,14,16-17,19,24H,1,9,13,15H2,2H3/b14-8-,18-11+,20-4-,22-16+
InChIKeyOGIUMQYFSXBNBB-GEEJIDODSA-N
MW331.46 g/mol
LogP3.92
Rot. Bonds6

About N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine

N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine (PubChem CID 166775486) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine
PubChem CID166775486
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC NameN-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine
SMILESC=C/C=C(\C=C/C/C=c1/oc2c(/c1=C/C)CC=C2)NC1C=CC=CC1
InChIInChI=1S/C23H25NO/c1-3-11-18(24-19-12-6-5-7-13-19)14-8-9-16-22-20(4-2)21-15-10-17-23(21)25-22/h3-8,10-12,14,16-17,19,24H,1,9,13,15H2,2H3/b14-8-,18-11+,20-4-,22-16+
InChIKeyOGIUMQYFSXBNBB-GEEJIDODSA-N
XLogP3.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine (CID 166775486) is N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine is C=C/C=C(\C=C/C/C=c1/oc2c(/c1=C/C)CC=C2)NC1C=CC=CC1.
What is the InChIKey of N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine?
The InChIKey is OGIUMQYFSXBNBB-GEEJIDODSA-N. The full InChI is InChI=1S/C23H25NO/c1-3-11-18(24-19-12-6-5-7-13-19)14-8-9-16-22-20(4-2)21-15-10-17-23(21)25-22/h3-8,10-12,14,16-17,19,24H,1,9,13,15H2,2H3/b14-8-,18-11+,20-4-,22-16+.
What are the key properties of N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine?
N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine has a molecular weight of 331.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z,8E)-8-[(3Z)-3-ethylidene-4H-cyclopenta[b]furan-2-ylidene]octa-1,3,5-trien-4-yl]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 166775486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).