2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine

C11H13NO — CID 43810363

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
SMILESNC1CC1c1ccc2c(c1)CCO2
InChIInChI=1S/C11H13NO/c12-10-6-9(10)7-1-2-11-8(5-7)3-4-13-11/h1-2,5,9-10H,3-4,6,12H2
InChIKeyYYVYCSYICVJZDV-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.44
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine

2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine (PubChem CID 43810363) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
PubChem CID43810363
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
SMILESNC1CC1c1ccc2c(c1)CCO2
InChIInChI=1S/C11H13NO/c12-10-6-9(10)7-1-2-11-8(5-7)3-4-13-11/h1-2,5,9-10H,3-4,6,12H2
InChIKeyYYVYCSYICVJZDV-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine (CID 43810363) is 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine is NC1CC1c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
The InChIKey is YYVYCSYICVJZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-10-6-9(10)7-1-2-11-8(5-7)3-4-13-11/h1-2,5,9-10H,3-4,6,12H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine?
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine has a molecular weight of 175.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 43810363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).