methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate

C9H14O3 — CID 101145124

IUPACmethyl 3-(1-ethylcyclopropyl)-3-oxopropanoate
SMILESCCC1(C(=O)CC(=O)OC)CC1
InChIInChI=1S/C9H14O3/c1-3-9(4-5-9)7(10)6-8(11)12-2/h3-6H2,1-2H3
InChIKeyFRJXRBSMUGMJIA-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.31
Rot. Bonds4

About methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate

methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate (PubChem CID 101145124) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(1-ethylcyclopropyl)-3-oxopropanoate
PubChem CID101145124
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl 3-(1-ethylcyclopropyl)-3-oxopropanoate
SMILESCCC1(C(=O)CC(=O)OC)CC1
InChIInChI=1S/C9H14O3/c1-3-9(4-5-9)7(10)6-8(11)12-2/h3-6H2,1-2H3
InChIKeyFRJXRBSMUGMJIA-UHFFFAOYSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(1-ethylcyclopropyl)ethanone
CID 130553979
methyl 3-(1-methylcyclobutyl)-3-oxopropanoate
CID 115013729
1-(1-ethylcyclopentyl)-2-methoxyethanone
CID 115783356
methyl 2-(1-ethylcyclopropyl)prop-2-enoate
CID 91291390
1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
CID 59620516
CID 87726616
CID 87726616
ethyl 3-[1-(2-methylpropyl)cyclopropyl]-3-oxopropanoate
CID 139604815
iodomethyl 1-ethylcyclopropane-1-carboxylate
CID 139604920
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
methyl 2-[(4-ethylpiperidine-4-carbonyl)-propan-2-ylamino]acetate
CID 63128303
methyl 2-(1-propylcyclopropyl)acetate
CID 123587364
methyl propanoate;dihydrochloride
CID 140968159

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate?
The IUPAC name of methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate (CID 101145124) is methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate?
The canonical SMILES for methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate is CCC1(C(=O)CC(=O)OC)CC1.
What is the InChIKey of methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate?
The InChIKey is FRJXRBSMUGMJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-9(4-5-9)7(10)6-8(11)12-2/h3-6H2,1-2H3.
What are the key properties of methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate?
methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate has a molecular weight of 170.21 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate is sourced from PubChem (CID 101145124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).