methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate

C11H12INO2 — CID 90299079

IUPACmethyl 1-(4-iodoanilino)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccc(I)cc2)CC1
InChIInChI=1S/C11H12INO2/c1-15-10(14)11(6-7-11)13-9-4-2-8(12)3-5-9/h2-5,13H,6-7H2,1H3
InChIKeyVNNKSWQYNQRQGF-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.41
Rot. Bonds3

About methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate

methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate (PubChem CID 90299079) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-iodoanilino)cyclopropane-1-carboxylate
PubChem CID90299079
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC Namemethyl 1-(4-iodoanilino)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Nc2ccc(I)cc2)CC1
InChIInChI=1S/C11H12INO2/c1-15-10(14)11(6-7-11)13-9-4-2-8(12)3-5-9/h2-5,13H,6-7H2,1H3
InChIKeyVNNKSWQYNQRQGF-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(4-methoxyanilino)cyclohexane-1-carboxylate
CID 54890159
methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate
CID 103439462
methyl 1-(4-fluoroanilino)-4-methylcyclohexane-1-carboxylate
CID 54889652
methyl 1-(4-chloroanilino)-4-methylcyclohexane-1-carboxylate
CID 54890558
methyl 1-(4-chloroanilino)-4-propan-2-ylcyclohexane-1-carboxylate
CID 63525579
methyl 3-ethyl-1-(4-fluoroanilino)cyclopentane-1-carboxylate
CID 64513340
methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505
methyl 1-(3-fluoroanilino)cyclobutane-1-carboxylate
CID 62389643
methyl 1-(3-fluoroanilino)cyclopentane-1-carboxylate
CID 54890364
dimethyl 6-iodo-4-(4-iodoanilino)-2-methyl-1,3-dihydroquinoline-2,4-dicarboxylate
CID 102114208
ethyl 1-(4-methylanilino)cyclopentane-1-carboxylate
CID 54889893
methyl 1-(3-chloroanilino)-4,4-dimethylcycloheptane-1-carboxylate
CID 65085708

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate (CID 90299079) is methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate is COC(=O)C1(Nc2ccc(I)cc2)CC1.
What is the InChIKey of methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate?
The InChIKey is VNNKSWQYNQRQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2/c1-15-10(14)11(6-7-11)13-9-4-2-8(12)3-5-9/h2-5,13H,6-7H2,1H3.
What are the key properties of methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate?
methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate has a molecular weight of 317.13 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-iodoanilino)cyclopropane-1-carboxylate is sourced from PubChem (CID 90299079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).