(3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol

C12H15NO2 — CID 90169126

IUPAC(3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol
SMILESN[C@@H]1c2ccccc2OC2(CCC2)[C@H]1O
InChIInChI=1S/C12H15NO2/c13-10-8-4-1-2-5-9(8)15-12(11(10)14)6-3-7-12/h1-2,4-5,10-11,14H,3,6-7,13H2/t10-,11+/m1/s1
InChIKeyBVJJJTLZPFIZJP-MNOVXSKESA-N
MW205.26 g/mol
LogP1.36
Rot. Bonds

About (3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol

(3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol (PubChem CID 90169126) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol
PubChem CID90169126
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol
SMILESN[C@@H]1c2ccccc2OC2(CCC2)[C@H]1O
InChIInChI=1S/C12H15NO2/c13-10-8-4-1-2-5-9(8)15-12(11(10)14)6-3-7-12/h1-2,4-5,10-11,14H,3,6-7,13H2/t10-,11+/m1/s1
InChIKeyBVJJJTLZPFIZJP-MNOVXSKESA-N
XLogP1.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol?
The IUPAC name of (3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol (CID 90169126) is (3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol.
What is the SMILES notation for (3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol?
The canonical SMILES for (3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol is N[C@@H]1c2ccccc2OC2(CCC2)[C@H]1O.
What is the InChIKey of (3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol?
The InChIKey is BVJJJTLZPFIZJP-MNOVXSKESA-N. The full InChI is InChI=1S/C12H15NO2/c13-10-8-4-1-2-5-9(8)15-12(11(10)14)6-3-7-12/h1-2,4-5,10-11,14H,3,6-7,13H2/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol?
(3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol has a molecular weight of 205.26 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-aminospiro[3,4-dihydrochromene-2,1'-cyclobutane]-3-ol is sourced from PubChem (CID 90169126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).