(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane

C9H12 — CID 143390325

IUPAC(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane
SMILESC=C/C=C\C=C1/CC1C
InChIInChI=1S/C9H12/c1-3-4-5-6-9-7-8(9)2/h3-6,8H,1,7H2,2H3/b5-4-,9-6+
InChIKeyMECFUTYJKUDPJC-KMOPYBJPSA-N
MW120.19 g/mol
LogP2.69
Rot. Bonds2

About (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane

(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane (PubChem CID 143390325) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane.

Molecular Properties

Compound Name(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane
PubChem CID143390325
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane
SMILESC=C/C=C\C=C1/CC1C
InChIInChI=1S/C9H12/c1-3-4-5-6-9-7-8(9)2/h3-6,8H,1,7H2,2H3/b5-4-,9-6+
InChIKeyMECFUTYJKUDPJC-KMOPYBJPSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
2-but-2-enylidene-4-methoxy-1-methylcyclohexane
CID 123890054
(2E)-2-[(2Z)-penta-2,4-dienylidene]-1,3-dihydropyrrole
CID 122519104
(1Z,3Z,8E)-6,6-dimethyl-5-methylidene-8-[(2Z)-penta-2,4-dienylidene]cycloocta-1,3-diene
CID 145291749
(5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-4H-1,3-thiazole
CID 89319288
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
CID 144706581
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
(2E)-2-[(2Z)-penta-2,4-dienylidene]piperazine
CID 146553447
ethane;(3S)-1-[(2Z,4Z)-hepta-2,4,6-trienyl]-3-methylazetidin-2-one;methanol
CID 143448351
(4E)-2-methylidene-4-[(2Z)-penta-2,4-dienylidene]imidazolidine
CID 143332623
(3Z)-4-methylidene-3-[(2Z)-penta-2,4-dienylidene]cyclopentene
CID 142997299

Frequently Asked Questions

What is the IUPAC name of (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane?
The IUPAC name of (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane (CID 143390325) is (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane.
What is the SMILES notation for (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane?
The canonical SMILES for (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane is C=C/C=C\C=C1/CC1C.
What is the InChIKey of (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane?
The InChIKey is MECFUTYJKUDPJC-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H12/c1-3-4-5-6-9-7-8(9)2/h3-6,8H,1,7H2,2H3/b5-4-,9-6+.
What are the key properties of (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane?
(2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane has a molecular weight of 120.19 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-methyl-2-[(2Z)-penta-2,4-dienylidene]cyclopropane is sourced from PubChem (CID 143390325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).