(1-cyclopropyl-2-methylidene-3-oxobutyl) acetate

C10H14O3 — CID 86030569

IUPAC(1-cyclopropyl-2-methylidene-3-oxobutyl) acetate
SMILESC=C(C(C)=O)C(OC(C)=O)C1CC1
InChIInChI=1S/C10H14O3/c1-6(7(2)11)10(9-4-5-9)13-8(3)12/h9-10H,1,4-5H2,2-3H3
InChIKeyUDJLPXIHQCLKRS-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.47
Rot. Bonds4

About (1-cyclopropyl-2-methylidene-3-oxobutyl) acetate

(1-cyclopropyl-2-methylidene-3-oxobutyl) acetate (PubChem CID 86030569) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1-cyclopropyl-2-methylidene-3-oxobutyl) acetate.

Molecular Properties

Compound Name(1-cyclopropyl-2-methylidene-3-oxobutyl) acetate
PubChem CID86030569
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1-cyclopropyl-2-methylidene-3-oxobutyl) acetate
SMILESC=C(C(C)=O)C(OC(C)=O)C1CC1
InChIInChI=1S/C10H14O3/c1-6(7(2)11)10(9-4-5-9)13-8(3)12/h9-10H,1,4-5H2,2-3H3
InChIKeyUDJLPXIHQCLKRS-UHFFFAOYSA-N
XLogP1.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Heptanone, 4-(acetyloxy)-3-methylene-
CID 11321350
Methyl 2-[acetyloxy(cyclopropyl)methyl]prop-2-enoate
CID 101370995
Propan-2-yl 2-methylprop-2-enoate;2-propylcyclopropan-1-one
CID 18784426
Propan-2-yl 2-cyclopropylprop-2-enoate
CID 21848720
(3,5-Dimethyl-4-oxohex-5-en-2-yl) 2-methylprop-2-enoate
CID 23565560
Ethyl 2-(cyclopropanecarbonyl)prop-2-enoate
CID 89556293
Methyl 2-(cyclopropanecarbonyl)prop-2-enoate
CID 123596108
[(3R,4R)-2,4-dimethyl-5-oxohept-1-en-3-yl] propanoate
CID 10059034
(4-Methylidene-5-oxohexan-3-yl) acetate
CID 10773468
(2-Methyl-4-methylidene-5-oxohexan-3-yl) acetate
CID 11019538
(2,6-Dimethyl-5-oxohepta-1,6-dien-3-yl) acetate
CID 14657407
(4-Methylidene-5-oxoheptan-3-yl) acetate
CID 15482637

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2-methylidene-3-oxobutyl) acetate?
The IUPAC name of (1-cyclopropyl-2-methylidene-3-oxobutyl) acetate (CID 86030569) is (1-cyclopropyl-2-methylidene-3-oxobutyl) acetate.
What is the SMILES notation for (1-cyclopropyl-2-methylidene-3-oxobutyl) acetate?
The canonical SMILES for (1-cyclopropyl-2-methylidene-3-oxobutyl) acetate is C=C(C(C)=O)C(OC(C)=O)C1CC1.
What is the InChIKey of (1-cyclopropyl-2-methylidene-3-oxobutyl) acetate?
The InChIKey is UDJLPXIHQCLKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-6(7(2)11)10(9-4-5-9)13-8(3)12/h9-10H,1,4-5H2,2-3H3.
What are the key properties of (1-cyclopropyl-2-methylidene-3-oxobutyl) acetate?
(1-cyclopropyl-2-methylidene-3-oxobutyl) acetate has a molecular weight of 182.22 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2-methylidene-3-oxobutyl) acetate is sourced from PubChem (CID 86030569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).