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

C10H14N2O — CID 112714534

IUPACspiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine
SMILESNCC1c2cnoc2CCC12CC2
InChIInChI=1S/C10H14N2O/c11-5-8-7-6-12-13-9(7)1-2-10(8)3-4-10/h6,8H,1-5,11H2
InChIKeyNUGSGJZJBMCHCY-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.44
Rot. Bonds1

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

spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine (PubChem CID 112714534) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine.

Molecular Properties

Compound Namespiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine
PubChem CID112714534
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Namespiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine
SMILESNCC1c2cnoc2CCC12CC2
InChIInChI=1S/C10H14N2O/c11-5-8-7-6-12-13-9(7)1-2-10(8)3-4-10/h6,8H,1-5,11H2
InChIKeyNUGSGJZJBMCHCY-UHFFFAOYSA-N
XLogP1.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
CID 112714362
spiro[6,7-dihydro-4H-2-benzofuran-5,1'-cyclopropane]-4-ylmethanamine
CID 112714489
(2-methylspiro[6,7-dihydro-4H-indazole-5,1'-cyclopropane]-4-yl)methanamine
CID 112715000
N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine
CID 112714254
spiro[4,6-dihydrocyclopenta[b]furan-5,1'-cyclopropane]-4-ylmethanamine
CID 112714224
(1-methylspiro[5,7-dihydro-4H-indazole-6,1'-cyclopropane]-7-yl)methanamine
CID 112714996
N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
CID 112715970
1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
CID 112714689
spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one
CID 112714478
2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine
CID 112714684
(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine
CID 112716095
4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol
CID 84649753

Frequently Asked Questions

What is the IUPAC name of spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine?
The IUPAC name of spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine (CID 112714534) is spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine.
What is the SMILES notation for spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine?
The canonical SMILES for spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine is NCC1c2cnoc2CCC12CC2.
What is the InChIKey of spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine?
The InChIKey is NUGSGJZJBMCHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-5-8-7-6-12-13-9(7)1-2-10(8)3-4-10/h6,8H,1-5,11H2.
What are the key properties of spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine?
spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine has a molecular weight of 178.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine is sourced from PubChem (CID 112714534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).