(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone

C12H11NO2 — CID 608478

IUPAC(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)oc2ccccc12
InChIInChI=1S/C12H11NO2/c13-10-8-3-1-2-4-9(8)15-12(10)11(14)7-5-6-7/h1-4,7H,5-6,13H2
InChIKeyAVXFPCCGHRUJFG-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.61
Rot. Bonds2

About (3-amino-1-benzofuran-2-yl)-cyclopropylmethanone

(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone (PubChem CID 608478) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone
PubChem CID608478
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone
SMILESNc1c(C(=O)C2CC2)oc2ccccc12
InChIInChI=1S/C12H11NO2/c13-10-8-3-1-2-4-9(8)15-12(10)11(14)7-5-6-7/h1-4,7H,5-6,13H2
InChIKeyAVXFPCCGHRUJFG-UHFFFAOYSA-N
XLogP2.61
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-benzofuran-2-carboxamide
CID 600546
(3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone
CID 16770285
tert-butyl 3-amino-1-benzofuran-2-carboxylate
CID 67529854
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-morpholin-4-ium-4-ylacetamide
CID 3330031
N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine
CID 71319911
(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone
CID 114321321
methyl 4-(3-amino-1-benzofuran-2-yl)-4-oxobutanoate
CID 649591
N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
CID 47102362
3-(2-carboxy-1-benzofuran-3-yl)-1-benzofuran-2-carboxylic acid
CID 164666500
3-phenyl-1-benzofuran-2-carboxylic acid
CID 13432338
(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 622395

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-cyclopropylmethanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-cyclopropylmethanone (CID 608478) is (3-amino-1-benzofuran-2-yl)-cyclopropylmethanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-cyclopropylmethanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-cyclopropylmethanone is Nc1c(C(=O)C2CC2)oc2ccccc12.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-cyclopropylmethanone?
The InChIKey is AVXFPCCGHRUJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c13-10-8-3-1-2-4-9(8)15-12(10)11(14)7-5-6-7/h1-4,7H,5-6,13H2.
What are the key properties of (3-amino-1-benzofuran-2-yl)-cyclopropylmethanone?
(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone has a molecular weight of 201.23 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-cyclopropylmethanone is sourced from PubChem (CID 608478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).