(3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone

C13H13NO3 — CID 661397

IUPAC(3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone
SMILESCOc1ccc2oc(C(=O)C3CC3)c(N)c2c1
InChIInChI=1S/C13H13NO3/c1-16-8-4-5-10-9(6-8)11(14)13(17-10)12(15)7-2-3-7/h4-7H,2-3,14H2,1H3
InChIKeyIDGJAOSBVMWCRL-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.62
Rot. Bonds3

About (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone

(3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone (PubChem CID 661397) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone
PubChem CID661397
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone
SMILESCOc1ccc2oc(C(=O)C3CC3)c(N)c2c1
InChIInChI=1S/C13H13NO3/c1-16-8-4-5-10-9(6-8)11(14)13(17-10)12(15)7-2-3-7/h4-7H,2-3,14H2,1H3
InChIKeyIDGJAOSBVMWCRL-UHFFFAOYSA-N
XLogP2.62
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone?
The IUPAC name of (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone (CID 661397) is (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone.
What is the SMILES notation for (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone?
The canonical SMILES for (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone is COc1ccc2oc(C(=O)C3CC3)c(N)c2c1.
What is the InChIKey of (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone?
The InChIKey is IDGJAOSBVMWCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-8-4-5-10-9(6-8)11(14)13(17-10)12(15)7-2-3-7/h4-7H,2-3,14H2,1H3.
What are the key properties of (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone?
(3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone has a molecular weight of 231.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methoxy-1-benzofuran-2-yl)-cyclopropylmethanone is sourced from PubChem (CID 661397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).