[(E)-1-methoxyprop-1-en-2-yl]cyclopropane

C7H12O — CID 3032918

IUPAC[(E)-1-methoxyprop-1-en-2-yl]cyclopropane
SMILESCO/C=C(\C)C1CC1
InChIInChI=1S/C7H12O/c1-6(5-8-2)7-3-4-7/h5,7H,3-4H2,1-2H3/b6-5+
InChIKeyCYVUCOYJTYWOAH-AATRIKPKSA-N
MW112.17 g/mol
LogP1.95
Rot. Bonds2

About [(E)-1-methoxyprop-1-en-2-yl]cyclopropane

[(E)-1-methoxyprop-1-en-2-yl]cyclopropane (PubChem CID 3032918) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is [(E)-1-methoxyprop-1-en-2-yl]cyclopropane.

Molecular Properties

Compound Name[(E)-1-methoxyprop-1-en-2-yl]cyclopropane
PubChem CID3032918
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name[(E)-1-methoxyprop-1-en-2-yl]cyclopropane
SMILESCO/C=C(\C)C1CC1
InChIInChI=1S/C7H12O/c1-6(5-8-2)7-3-4-7/h5,7H,3-4H2,1-2H3/b6-5+
InChIKeyCYVUCOYJTYWOAH-AATRIKPKSA-N
XLogP1.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-methoxyprop-1-en-2-yl]cyclopropane?
The IUPAC name of [(E)-1-methoxyprop-1-en-2-yl]cyclopropane (CID 3032918) is [(E)-1-methoxyprop-1-en-2-yl]cyclopropane.
What is the SMILES notation for [(E)-1-methoxyprop-1-en-2-yl]cyclopropane?
The canonical SMILES for [(E)-1-methoxyprop-1-en-2-yl]cyclopropane is CO/C=C(\C)C1CC1.
What is the InChIKey of [(E)-1-methoxyprop-1-en-2-yl]cyclopropane?
The InChIKey is CYVUCOYJTYWOAH-AATRIKPKSA-N. The full InChI is InChI=1S/C7H12O/c1-6(5-8-2)7-3-4-7/h5,7H,3-4H2,1-2H3/b6-5+.
What are the key properties of [(E)-1-methoxyprop-1-en-2-yl]cyclopropane?
[(E)-1-methoxyprop-1-en-2-yl]cyclopropane has a molecular weight of 112.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-methoxyprop-1-en-2-yl]cyclopropane is sourced from PubChem (CID 3032918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).