methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate

C14H15NO3 — CID 116944424

IUPACmethyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(N)c2coc3ccccc23)CC1
InChIInChI=1S/C14H15NO3/c1-17-13(16)14(6-7-14)12(15)10-8-18-11-5-3-2-4-9(10)11/h2-5,8,12H,6-7,15H2,1H3
InChIKeyYAXFAIGQJSYBFU-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.39
Rot. Bonds3

About methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate

methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate (PubChem CID 116944424) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate
PubChem CID116944424
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(N)c2coc3ccccc23)CC1
InChIInChI=1S/C14H15NO3/c1-17-13(16)14(6-7-14)12(15)10-8-18-11-5-3-2-4-9(10)11/h2-5,8,12H,6-7,15H2,1H3
InChIKeyYAXFAIGQJSYBFU-UHFFFAOYSA-N
XLogP2.39
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 116943154
methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate
CID 116944325
1-[1-benzofuran-3-yl(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958973
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
1-benzofuran-3-yl(methoxy)methanamine
CID 116947357
methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842883
methyl 1-[amino-(5-bromo-2-fluorophenyl)methyl]cyclobutane-1-carboxylate
CID 116944321
4-amino-4-(1-benzofuran-3-yl)butan-2-one
CID 116940622
2-amino-3-(1-benzofuran-3-yl)-3-(methylamino)propanoic acid
CID 116957427
2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide
CID 116849007
methyl 1-[amino-(4-tert-butylphenyl)methyl]cyclopropane-1-carboxylate
CID 116944350
methyl 1-[amino-(5-bromo-2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116944322

Frequently Asked Questions

What is the IUPAC name of methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate (CID 116944424) is methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate is COC(=O)C1(C(N)c2coc3ccccc23)CC1.
What is the InChIKey of methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate?
The InChIKey is YAXFAIGQJSYBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-13(16)14(6-7-14)12(15)10-8-18-11-5-3-2-4-9(10)11/h2-5,8,12H,6-7,15H2,1H3.
What are the key properties of methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate?
methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116944424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).