N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine

C22H27N — CID 146246044

IUPACN-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine
SMILESC=C(C)C1=C(/N=C(\C)C2C=C(C)C=CC2)/C(=C/C=C\C)C(=C)C1
InChIInChI=1S/C22H27N/c1-7-8-12-20-17(5)14-21(15(2)3)22(20)23-18(6)19-11-9-10-16(4)13-19/h7-10,12-13,19H,2,5,11,14H2,1,3-4,6H3/b8-7-,20-12+,23-18+
InChIKeyRPCOEXUTVYYKDR-FWMDAHQSSA-N
MW305.47 g/mol
LogP6.26
Rot. Bonds4

About N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine

N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine (PubChem CID 146246044) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine.

Molecular Properties

Compound NameN-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine
PubChem CID146246044
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC NameN-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine
SMILESC=C(C)C1=C(/N=C(\C)C2C=C(C)C=CC2)/C(=C/C=C\C)C(=C)C1
InChIInChI=1S/C22H27N/c1-7-8-12-20-17(5)14-21(15(2)3)22(20)23-18(6)19-11-9-10-16(4)13-19/h7-10,12-13,19H,2,5,11,14H2,1,3-4,6H3/b8-7-,20-12+,23-18+
InChIKeyRPCOEXUTVYYKDR-FWMDAHQSSA-N
XLogP6.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine?
The IUPAC name of N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine (CID 146246044) is N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine.
What is the SMILES notation for N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine?
The canonical SMILES for N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine is C=C(C)C1=C(/N=C(\C)C2C=C(C)C=CC2)/C(=C/C=C\C)C(=C)C1.
What is the InChIKey of N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine?
The InChIKey is RPCOEXUTVYYKDR-FWMDAHQSSA-N. The full InChI is InChI=1S/C22H27N/c1-7-8-12-20-17(5)14-21(15(2)3)22(20)23-18(6)19-11-9-10-16(4)13-19/h7-10,12-13,19H,2,5,11,14H2,1,3-4,6H3/b8-7-,20-12+,23-18+.
What are the key properties of N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine?
N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine has a molecular weight of 305.47 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-prop-1-en-2-ylcyclopenten-1-yl]-1-(3-methylcyclohexa-2,4-dien-1-yl)ethanimine is sourced from PubChem (CID 146246044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).