iodomethyl 1-ethylcyclopropane-1-carboxylate

C7H11IO2 — CID 139604920

IUPACiodomethyl 1-ethylcyclopropane-1-carboxylate
SMILESCCC1(C(=O)OCI)CC1
InChIInChI=1S/C7H11IO2/c1-2-7(3-4-7)6(9)10-5-8/h2-5H2,1H3
InChIKeyJKJCFDCXFXEIPW-UHFFFAOYSA-N
MW254.07 g/mol
LogP2.11
Rot. Bonds3

About iodomethyl 1-ethylcyclopropane-1-carboxylate

iodomethyl 1-ethylcyclopropane-1-carboxylate (PubChem CID 139604920) has the molecular formula C7H11IO2 and a molecular weight of 254.07 g/mol. Its IUPAC name is iodomethyl 1-ethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameiodomethyl 1-ethylcyclopropane-1-carboxylate
PubChem CID139604920
Molecular FormulaC7H11IO2
Molecular Weight254.07 g/mol
Exact Mass253.98
IUPAC Nameiodomethyl 1-ethylcyclopropane-1-carboxylate
SMILESCCC1(C(=O)OCI)CC1
InChIInChI=1S/C7H11IO2/c1-2-7(3-4-7)6(9)10-5-8/h2-5H2,1H3
InChIKeyJKJCFDCXFXEIPW-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-ethylpiperidin-1-ium-4-carboxylate
CID 86307047
ethyl 1-ethyl-4-hydroxycyclohexane-1-carboxylate
CID 58597127
propyl 4-ethylpiperidine-4-carboxylate
CID 63125915
ethyl 1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylate
CID 68758464
2-propoxyethyl 4-ethylpiperidine-4-carboxylate
CID 63686530
[(4-ethoxycarbonyl-4-ethylcyclohexyl)amino]carbamic acid
CID 118383258
methyl 3-(1-ethylcyclopropyl)-3-oxopropanoate
CID 101145124
ethyl 1-ethyl-3,3-dimethoxycyclobutane-1-carboxylate
CID 170334363
chloromethyl 1-butylcyclopropane-1-carboxylate
CID 170994600
ethyl 1-prop-2-enylcyclopropane-1-carboxylate
CID 12619317
ethyl 8-(3-iodopropyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 90037562
1-ethylcyclopentane-1-carboxamide
CID 55285008

Frequently Asked Questions

What is the IUPAC name of iodomethyl 1-ethylcyclopropane-1-carboxylate?
The IUPAC name of iodomethyl 1-ethylcyclopropane-1-carboxylate (CID 139604920) is iodomethyl 1-ethylcyclopropane-1-carboxylate.
What is the SMILES notation for iodomethyl 1-ethylcyclopropane-1-carboxylate?
The canonical SMILES for iodomethyl 1-ethylcyclopropane-1-carboxylate is CCC1(C(=O)OCI)CC1.
What is the InChIKey of iodomethyl 1-ethylcyclopropane-1-carboxylate?
The InChIKey is JKJCFDCXFXEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IO2/c1-2-7(3-4-7)6(9)10-5-8/h2-5H2,1H3.
What are the key properties of iodomethyl 1-ethylcyclopropane-1-carboxylate?
iodomethyl 1-ethylcyclopropane-1-carboxylate has a molecular weight of 254.07 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl 1-ethylcyclopropane-1-carboxylate is sourced from PubChem (CID 139604920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).