(E)-1-cyclopropyl-3-methoxyprop-2-en-1-one

C7H10O2 — CID 131237685

IUPAC(E)-1-cyclopropyl-3-methoxyprop-2-en-1-one
SMILESCO/C=C/C(=O)C1CC1
InChIInChI=1S/C7H10O2/c1-9-5-4-7(8)6-2-3-6/h4-6H,2-3H2,1H3/b5-4+
InChIKeyZHEINZLSXHLOFG-SNAWJCMRSA-N
MW126.15 g/mol
LogP1.13
Rot. Bonds3

About (E)-1-cyclopropyl-3-methoxyprop-2-en-1-one

(E)-1-cyclopropyl-3-methoxyprop-2-en-1-one (PubChem CID 131237685) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (E)-1-cyclopropyl-3-methoxyprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclopropyl-3-methoxyprop-2-en-1-one
PubChem CID131237685
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(E)-1-cyclopropyl-3-methoxyprop-2-en-1-one
SMILESCO/C=C/C(=O)C1CC1
InChIInChI=1S/C7H10O2/c1-9-5-4-7(8)6-2-3-6/h4-6H,2-3H2,1H3/b5-4+
InChIKeyZHEINZLSXHLOFG-SNAWJCMRSA-N
XLogP1.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-3-methoxyprop-2-en-1-one?
The IUPAC name of (E)-1-cyclopropyl-3-methoxyprop-2-en-1-one (CID 131237685) is (E)-1-cyclopropyl-3-methoxyprop-2-en-1-one.
What is the SMILES notation for (E)-1-cyclopropyl-3-methoxyprop-2-en-1-one?
The canonical SMILES for (E)-1-cyclopropyl-3-methoxyprop-2-en-1-one is CO/C=C/C(=O)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-3-methoxyprop-2-en-1-one?
The InChIKey is ZHEINZLSXHLOFG-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H10O2/c1-9-5-4-7(8)6-2-3-6/h4-6H,2-3H2,1H3/b5-4+.
What are the key properties of (E)-1-cyclopropyl-3-methoxyprop-2-en-1-one?
(E)-1-cyclopropyl-3-methoxyprop-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-3-methoxyprop-2-en-1-one is sourced from PubChem (CID 131237685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).