(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol

C15H20ClNO2 — CID 104948992

IUPAC(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
SMILESCN1CCCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2
InChIInChI=1S/C15H20ClNO2/c1-17-7-2-5-15(6-8-17)10-13(18)12-9-11(16)3-4-14(12)19-15/h3-4,9,13,18H,2,5-8,10H2,1H3/t13-,15?/m0/s1
InChIKeyLHXMWUFBABLFOU-CFMCSPIPSA-N
MW281.78 g/mol
LogP3.01
Rot. Bonds

About (4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol

(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol (PubChem CID 104948992) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol.

Molecular Properties

Compound Name(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
PubChem CID104948992
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
SMILESCN1CCCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2
InChIInChI=1S/C15H20ClNO2/c1-17-7-2-5-15(6-8-17)10-13(18)12-9-11(16)3-4-14(12)19-15/h3-4,9,13,18H,2,5-8,10H2,1H3/t13-,15?/m0/s1
InChIKeyLHXMWUFBABLFOU-CFMCSPIPSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol with MolForge

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Related Compounds

(4S)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 104948996
(4R)-6-chlorospiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104949252
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114715390
(4R)-6-chloro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949110
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104949194
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
(4S)-6-chloro-1',2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-ol
CID 104948879
(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
CID 104948911
(4'R)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
CID 104949139
6-chloro-3'-cyclopropylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714494

Frequently Asked Questions

What is the IUPAC name of (4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The IUPAC name of (4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol (CID 104948992) is (4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol.
What is the SMILES notation for (4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The canonical SMILES for (4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol is CN1CCCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2.
What is the InChIKey of (4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
The InChIKey is LHXMWUFBABLFOU-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-17-7-2-5-15(6-8-17)10-13(18)12-9-11(16)3-4-14(12)19-15/h3-4,9,13,18H,2,5-8,10H2,1H3/t13-,15?/m0/s1.
What are the key properties of (4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol?
(4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol has a molecular weight of 281.78 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol is sourced from PubChem (CID 104948992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).