1-[(E)-but-2-en-2-yl]-1-methylcyclopropane

C8H14 — CID 14687797

IUPAC1-[(E)-but-2-en-2-yl]-1-methylcyclopropane
SMILESC/C=C(\C)C1(C)CC1
InChIInChI=1S/C8H14/c1-4-7(2)8(3)5-6-8/h4H,5-6H2,1-3H3/b7-4+
InChIKeyCONAEPVVCABGLY-QPJJXVBHSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-1-methylcyclopropane

1-[(E)-but-2-en-2-yl]-1-methylcyclopropane (PubChem CID 14687797) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-1-methylcyclopropane.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-1-methylcyclopropane
PubChem CID14687797
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-[(E)-but-2-en-2-yl]-1-methylcyclopropane
SMILESC/C=C(\C)C1(C)CC1
InChIInChI=1S/C8H14/c1-4-7(2)8(3)5-6-8/h4H,5-6H2,1-3H3/b7-4+
InChIKeyCONAEPVVCABGLY-QPJJXVBHSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethyl-2-(2-methyl-1-propenyl)cyclopropane
CID 520632
Npc36747
CID 5369064
3,4,4-Trimethylhex-2-ene
CID 521474
2,5,5-Trimethyl-2-heptene
CID 91380773
2-Cyclopropyl-2-penten
CID 144712
Pentylidenecyclopropane
CID 13252931
1,1-Diisopropenylcyclopropane
CID 14529887
5-Ethyl-3,5-dimethyl-3-heptene
CID 91458315
4-Ethyl-3,4-dimethyl-2-hexene
CID 91476250
Bisprenylpropane
CID 101493299
4-Methylspiro[2,3]hex-4-ene
CID 102391250
3-Ethyl-6,6-dimethylhept-3-ene
CID 123896085

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-1-methylcyclopropane?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-1-methylcyclopropane (CID 14687797) is 1-[(E)-but-2-en-2-yl]-1-methylcyclopropane.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-1-methylcyclopropane?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-1-methylcyclopropane is C/C=C(\C)C1(C)CC1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-1-methylcyclopropane?
The InChIKey is CONAEPVVCABGLY-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H14/c1-4-7(2)8(3)5-6-8/h4H,5-6H2,1-3H3/b7-4+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-1-methylcyclopropane?
1-[(E)-but-2-en-2-yl]-1-methylcyclopropane has a molecular weight of 110.20 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-1-methylcyclopropane is sourced from PubChem (CID 14687797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).