(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C12H15NO — CID 95970213

IUPAC(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESN[C@H]1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C12H15NO/c13-10-8-12(6-3-7-12)14-11-5-2-1-4-9(10)11/h1-2,4-5,10H,3,6-8,13H2/t10-/m0/s1
InChIKeyQFQGXOGAIJYSFK-JTQLQIEISA-N
MW189.26 g/mol
LogP2.39
Rot. Bonds

About (4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 95970213) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID95970213
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESN[C@H]1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C12H15NO/c13-10-8-12(6-3-7-12)14-11-5-2-1-4-9(10)11/h1-2,4-5,10H,3,6-8,13H2/t10-/m0/s1
InChIKeyQFQGXOGAIJYSFK-JTQLQIEISA-N
XLogP2.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
(4S)-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946043
spiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-amine
CID 114709400
1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine;hydrochloride
CID 43810428
1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709485
(4R)-1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104946207
3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709557
(4R)-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946089
(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149
(4R)-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104946242
(4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430742

Frequently Asked Questions

What is the IUPAC name of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 95970213) is (4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for (4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for (4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is N[C@H]1CC2(CCC2)Oc2ccccc21.
What is the InChIKey of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is QFQGXOGAIJYSFK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO/c13-10-8-12(6-3-7-12)14-11-5-2-1-4-9(10)11/h1-2,4-5,10H,3,6-8,13H2/t10-/m0/s1.
What are the key properties of (4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 189.26 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 95970213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).