6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride

C13H18ClNO2 — CID 121207060

IUPAC6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
SMILESCOc1ccc2c(c1)CCC1(CCNC1)O2.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-15-11-2-3-12-10(8-11)4-5-13(16-12)6-7-14-9-13;/h2-3,8,14H,4-7,9H2,1H3;1H
InChIKeyDFRDOZAHZHVQKZ-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.17
Rot. Bonds1

About 6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride

6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride (PubChem CID 121207060) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride.

Molecular Properties

Compound Name6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
PubChem CID121207060
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride
SMILESCOc1ccc2c(c1)CCC1(CCNC1)O2.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-15-11-2-3-12-10(8-11)4-5-13(16-12)6-7-14-9-13;/h2-3,8,14H,4-7,9H2,1H3;1H
InChIKeyDFRDOZAHZHVQKZ-UHFFFAOYSA-N
XLogP2.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008
6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]
CID 141173693
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
6-(2-methylpropoxy)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 82045864
7-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045910
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104946767
2,2-diethoxy-6-methoxy-3,4-dihydrochromene
CID 131862776
6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020
6-methoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045975
5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 170003759
(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 92849621
6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207107

Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride?
The IUPAC name of 6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride (CID 121207060) is 6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride.
What is the SMILES notation for 6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride?
The canonical SMILES for 6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride is COc1ccc2c(c1)CCC1(CCNC1)O2.Cl.
What is the InChIKey of 6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride?
The InChIKey is DFRDOZAHZHVQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-15-11-2-3-12-10(8-11)4-5-13(16-12)6-7-14-9-13;/h2-3,8,14H,4-7,9H2,1H3;1H.
What are the key properties of 6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride?
6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride has a molecular weight of 255.74 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[3,4-dihydrochromene-2,3'-pyrrolidine];hydrochloride is sourced from PubChem (CID 121207060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).