2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]

C14H19NO — CID 62354992

IUPAC2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]
SMILESCCC1NCCC12CCOc1ccccc12
InChIInChI=1S/C14H19NO/c1-2-13-14(7-9-15-13)8-10-16-12-6-4-3-5-11(12)14/h3-6,13,15H,2,7-10H2,1H3
InChIKeyZFJOOLGASFQLDG-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.48
Rot. Bonds1

About 2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]

2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine] (PubChem CID 62354992) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine].

Molecular Properties

Compound Name2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]
PubChem CID62354992
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]
SMILESCCC1NCCC12CCOc1ccccc12
InChIInChI=1S/C14H19NO/c1-2-13-14(7-9-15-13)8-10-16-12-6-4-3-5-11(12)14/h3-6,13,15H,2,7-10H2,1H3
InChIKeyZFJOOLGASFQLDG-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1'R,4S)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-yl]methanol
CID 124512943
5'-methylspiro[2,3-dihydrochromene-4,4'-pyrrolidine]-2'-one
CID 66106756
ethyl (1'R)-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxylate
CID 153078138
2'-ethylspiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]
CID 62841110
spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10420425
(4-butyl-2,3-dihydrochromen-4-yl)methanamine
CID 65407498
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
4,4-diiodo-2,3-dihydrochromene
CID 138563808
2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55063141
spiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 59233929
4-[(5-ethylthiophen-2-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65406283
[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol
CID 61048933

Frequently Asked Questions

What is the IUPAC name of 2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The IUPAC name of 2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine] (CID 62354992) is 2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine].
What is the SMILES notation for 2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The canonical SMILES for 2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine] is CCC1NCCC12CCOc1ccccc12.
What is the InChIKey of 2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
The InChIKey is ZFJOOLGASFQLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-13-14(7-9-15-13)8-10-16-12-6-4-3-5-11(12)14/h3-6,13,15H,2,7-10H2,1H3.
What are the key properties of 2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]?
2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine] has a molecular weight of 217.31 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine] is sourced from PubChem (CID 62354992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).