5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol

C14H19NO2 — CID 82045896

IUPAC5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
SMILESCc1cc(C)c2c(c1)OC1(CCNC1)CC2O
InChIInChI=1S/C14H19NO2/c1-9-5-10(2)13-11(16)7-14(3-4-15-8-14)17-12(13)6-9/h5-6,11,15-16H,3-4,7-8H2,1-2H3
InChIKeyVQQAQTCZYQYTQJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds

About 5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol

5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol (PubChem CID 82045896) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol.

Molecular Properties

Compound Name5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
PubChem CID82045896
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
SMILESCc1cc(C)c2c(c1)OC1(CCNC1)CC2O
InChIInChI=1S/C14H19NO2/c1-9-5-10(2)13-11(16)7-14(3-4-15-8-14)17-12(13)6-9/h5-6,11,15-16H,3-4,7-8H2,1-2H3
InChIKeyVQQAQTCZYQYTQJ-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047388
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4,5-diol
CID 82045927
7-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045910
6-chloro-7-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045751
6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045909
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
6,7-dimethyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047387
spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol
CID 82045930
7-methyl-4-morpholin-4-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82047382
6,7-dimethylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045683
(4R)-6-ethoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 93174887

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The IUPAC name of 5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol (CID 82045896) is 5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol.
What is the SMILES notation for 5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The canonical SMILES for 5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol is Cc1cc(C)c2c(c1)OC1(CCNC1)CC2O.
What is the InChIKey of 5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
The InChIKey is VQQAQTCZYQYTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-5-10(2)13-11(16)7-14(3-4-15-8-14)17-12(13)6-9/h5-6,11,15-16H,3-4,7-8H2,1-2H3.
What are the key properties of 5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol?
5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol has a molecular weight of 233.31 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol is sourced from PubChem (CID 82045896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).