(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]

C13H17NO — CID 129406410

IUPAC(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]
SMILESc1ccc2c(c1)CC[C@@]1(CCCNC1)O2
InChIInChI=1S/C13H17NO/c1-2-5-12-11(4-1)6-8-13(15-12)7-3-9-14-10-13/h1-2,4-5,14H,3,6-10H2/t13-/m1/s1
InChIKeyWSPYCVSOVZAWQH-CYBMUJFWSA-N
MW203.29 g/mol
LogP2.13
Rot. Bonds

About (2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]

(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine] (PubChem CID 129406410) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (2S)-spiro[3,4-dihydrochromene-2,3'-piperidine].

Molecular Properties

Compound Name(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]
PubChem CID129406410
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]
SMILESc1ccc2c(c1)CC[C@@]1(CCCNC1)O2
InChIInChI=1S/C13H17NO/c1-2-5-12-11(4-1)6-8-13(15-12)7-3-9-14-10-13/h1-2,4-5,14H,3,6-10H2/t13-/m1/s1
InChIKeyWSPYCVSOVZAWQH-CYBMUJFWSA-N
XLogP2.13
TPSA21.26 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[4,5-dihydro-3H-1,4-benzoxazepine-2,1'-cyclobutane];hydrochloride
CID 126838700
(5S)-1-oxa-9-azaspiro[4.5]decan-2-one
CID 86334414
2-oxa-11-azatricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,15,17-hexaene;hydrochloride
CID 20509358
spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
(2S)-1'-benzylspiro[4,5-dihydro-3H-1,4-benzoxazepine-2,4'-azepane]
CID 95854167
spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
spiro[3,4-dihydro-1,4-benzoxazepine-2,1'-cyclobutane]-5-one
CID 126827517
2,2-difluoro-3,4-dihydrochromene
CID 14418574
spiro[3H-1-benzofuran-2,2'-pyrrolidine]
CID 175955599
spiro[3,4-dihydrochromene-2,2'-oxane]
CID 25016653

Frequently Asked Questions

What is the IUPAC name of (2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]?
The IUPAC name of (2S)-spiro[3,4-dihydrochromene-2,3'-piperidine] (CID 129406410) is (2S)-spiro[3,4-dihydrochromene-2,3'-piperidine].
What is the SMILES notation for (2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]?
The canonical SMILES for (2S)-spiro[3,4-dihydrochromene-2,3'-piperidine] is c1ccc2c(c1)CC[C@@]1(CCCNC1)O2.
What is the InChIKey of (2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]?
The InChIKey is WSPYCVSOVZAWQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-5-12-11(4-1)6-8-13(15-12)7-3-9-14-10-13/h1-2,4-5,14H,3,6-10H2/t13-/m1/s1.
What are the key properties of (2S)-spiro[3,4-dihydrochromene-2,3'-piperidine]?
(2S)-spiro[3,4-dihydrochromene-2,3'-piperidine] has a molecular weight of 203.29 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-spiro[3,4-dihydrochromene-2,3'-piperidine] is sourced from PubChem (CID 129406410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).