N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine

C11H15NO — CID 112714495

IUPACN-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine
SMILESCNC1c2cocc2CCC12CC2
InChIInChI=1S/C11H15NO/c1-12-10-9-7-13-6-8(9)2-3-11(10)4-5-11/h6-7,10,12H,2-5H2,1H3
InChIKeyLSKXKKRXPZWVBE-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.27
Rot. Bonds1

About N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine

N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine (PubChem CID 112714495) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine.

Molecular Properties

Compound NameN-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine
PubChem CID112714495
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine
SMILESCNC1c2cocc2CCC12CC2
InChIInChI=1S/C11H15NO/c1-12-10-9-7-13-6-8(9)2-3-11(10)4-5-11/h6-7,10,12H,2-5H2,1H3
InChIKeyLSKXKKRXPZWVBE-UHFFFAOYSA-N
XLogP2.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine?
The IUPAC name of N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine (CID 112714495) is N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine.
What is the SMILES notation for N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine?
The canonical SMILES for N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine is CNC1c2cocc2CCC12CC2.
What is the InChIKey of N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine?
The InChIKey is LSKXKKRXPZWVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-12-10-9-7-13-6-8(9)2-3-11(10)4-5-11/h6-7,10,12H,2-5H2,1H3.
What are the key properties of N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine?
N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine has a molecular weight of 177.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine is sourced from PubChem (CID 112714495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).