(4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine

C9H12N2 — CID 143332623

IUPAC(4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine
SMILESC=C/C=C\C=C1/CNC(=C)N1
InChIInChI=1S/C9H12N2/c1-3-4-5-6-9-7-10-8(2)11-9/h3-6,10-11H,1-2,7H2/b5-4-,9-6+
InChIKeyLLVRCMCRHDJKIH-KMOPYBJPSA-N
MW148.21 g/mol
LogP1.28
Rot. Bonds2

About (4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine

(4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine (PubChem CID 143332623) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine.

Molecular Properties

Compound Name(4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine
PubChem CID143332623
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine
SMILESC=C/C=C\C=C1/CNC(=C)N1
InChIInChI=1S/C9H12N2/c1-3-4-5-6-9-7-10-8(2)11-9/h3-6,10-11H,1-2,7H2/b5-4-,9-6+
InChIKeyLLVRCMCRHDJKIH-KMOPYBJPSA-N
XLogP1.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine
CID 146553447
(2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole
CID 122519104
(3Z)-4-methylidene-3-[(2Z)-penta-2,4-dienylidene]cyclopentene
CID 142997299
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane
CID 143390325
[(2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrol-4-yl] acetate
CID 89319612
(5E)-3-methyl-4-methylidene-5-[(2Z)-penta-2,4-dienylidene]-1,2-oxazole
CID 152998854
(1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene
CID 145291749
(2E)-3-methylidene-2-prop-2-enylidenepiperidine
CID 143834497
2-methylidene-3,4-dihydro-1H-quinazoline
CID 59114609
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
(2Z,3E)-2-[(2E,4Z)-hepta-2,4-dienylidene]-3-prop-2-enylideneaziridine
CID 163814256

Frequently Asked Questions

What is the IUPAC name of (4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine?
The IUPAC name of (4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine (CID 143332623) is (4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine.
What is the SMILES notation for (4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine?
The canonical SMILES for (4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine is C=C/C=C\C=C1/CNC(=C)N1.
What is the InChIKey of (4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine?
The InChIKey is LLVRCMCRHDJKIH-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-4-5-6-9-7-10-8(2)11-9/h3-6,10-11H,1-2,7H2/b5-4-,9-6+.
What are the key properties of (4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine?
(4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine has a molecular weight of 148.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine is sourced from PubChem (CID 143332623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).