(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C13H17NO — CID 42129974

IUPAC(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESN[C@@H]1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C13H17NO/c14-11-9-13(7-3-4-8-13)15-12-6-2-1-5-10(11)12/h1-2,5-6,11H,3-4,7-9,14H2/t11-/m1/s1
InChIKeyJLJGHWLOLDSRLO-LLVKDONJSA-N
MW203.29 g/mol
LogP2.78
Rot. Bonds

About (4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 42129974) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID42129974
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESN[C@@H]1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C13H17NO/c14-11-9-13(7-3-4-8-13)15-12-6-2-1-5-10(11)12/h1-2,5-6,11H,3-4,7-9,14H2/t11-/m1/s1
InChIKeyJLJGHWLOLDSRLO-LLVKDONJSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of (4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 42129974) is (4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for (4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for (4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is N[C@@H]1CC2(CCCC2)Oc2ccccc21.
What is the InChIKey of (4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is JLJGHWLOLDSRLO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO/c14-11-9-13(7-3-4-8-13)15-12-6-2-1-5-10(11)12/h1-2,5-6,11H,3-4,7-9,14H2/t11-/m1/s1.
What are the key properties of (4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 203.29 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 42129974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).