spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine

C11H15NO — CID 112714489

IUPACspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine
SMILESNCC1c2cocc2CCC12CC2
InChIInChI=1S/C11H15NO/c12-5-10-9-7-13-6-8(9)1-2-11(10)3-4-11/h6-7,10H,1-5,12H2
InChIKeyOIZMLLQFPWYNLW-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.05
Rot. Bonds1

About spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine

spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine (PubChem CID 112714489) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine.

Molecular Properties

Compound Namespiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine
PubChem CID112714489
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namespiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine
SMILESNCC1c2cocc2CCC12CC2
InChIInChI=1S/C11H15NO/c12-5-10-9-7-13-6-8(9)1-2-11(10)3-4-11/h6-7,10H,1-5,12H2
InChIKeyOIZMLLQFPWYNLW-UHFFFAOYSA-N
XLogP2.05
TPSA39.16 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylspiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-amine
CID 112714495
spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine
CID 112714534
(1-methylspiro[5,7-dihydro-4H-indazole-6,1'-cyclopropane]-7-yl)methanamine
CID 112714996
(2-methylspiro[6,7-dihydro-4H-indazole-5,1'-cyclopropane]-4-yl)methanamine
CID 112715000
spiro[4,6-dihydrocyclopenta[b]furan-5,1'-cyclopropane]-4-ylmethanamine
CID 112714224
(6-bromo-4',4'-difluorospiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl)methanamine
CID 123340415
N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclopropane]-1-ylmethanamine
CID 83908422
(6,6-dimethyl-1,4,5,7-tetrahydroindazol-7-yl)methanamine
CID 112714625
N-methyl-1-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylmethanamine
CID 83909985
spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine
CID 83907444
N-methyl-1-spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane]-8-ylmethanamine
CID 112715636
2-spiro[3,4-dihydro-1H-naphthalene-2,1'-cyclobutane]-1-ylpropan-1-amine
CID 83911492

Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine?
The IUPAC name of spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine (CID 112714489) is spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine.
What is the SMILES notation for spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine?
The canonical SMILES for spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine is NCC1c2cocc2CCC12CC2.
What is the InChIKey of spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine?
The InChIKey is OIZMLLQFPWYNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-5-10-9-7-13-6-8(9)1-2-11(10)3-4-11/h6-7,10H,1-5,12H2.
What are the key properties of spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine?
spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine has a molecular weight of 177.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine is sourced from PubChem (CID 112714489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).