spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine

C10H11NO — CID 146551012

IUPACspiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine
SMILESNc1cccc2c1OCC21CC1
InChIInChI=1S/C10H11NO/c11-8-3-1-2-7-9(8)12-6-10(7)4-5-10/h1-3H,4-6,11H2
InChIKeyIECRIBWYCDRALH-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.69
Rot. Bonds

About spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine

spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine (PubChem CID 146551012) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine.

Molecular Properties

Compound Namespiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine
PubChem CID146551012
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Namespiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine
SMILESNc1cccc2c1OCC21CC1
InChIInChI=1S/C10H11NO/c11-8-3-1-2-7-9(8)12-6-10(7)4-5-10/h1-3H,4-6,11H2
InChIKeyIECRIBWYCDRALH-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine?
The IUPAC name of spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine (CID 146551012) is spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine.
What is the SMILES notation for spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine?
The canonical SMILES for spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine is Nc1cccc2c1OCC21CC1.
What is the InChIKey of spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine?
The InChIKey is IECRIBWYCDRALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c11-8-3-1-2-7-9(8)12-6-10(7)4-5-10/h1-3H,4-6,11H2.
What are the key properties of spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine?
spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine has a molecular weight of 161.20 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-1-benzofuran-3,1'-cyclopropane]-7-amine is sourced from PubChem (CID 146551012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).