(4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane

C20H26ClNO2 — CID 135119230

IUPAC(4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@@]12CCCN(CC1=Cc3cc(Cl)ccc3OC1)C2
InChIInChI=1S/C20H26ClNO2/c1-23-19-4-2-7-20(19)8-3-9-22(14-20)12-15-10-16-11-17(21)5-6-18(16)24-13-15/h5-6,10-11,19H,2-4,7-9,12-14H2,1H3/t19-,20+/m1/s1
InChIKeyYDFRGTXMXSOHQB-UXHICEINSA-N
MW347.89 g/mol
LogP4.40
Rot. Bonds3

About (4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane

(4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane (PubChem CID 135119230) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is (4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
PubChem CID135119230
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name(4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@@]12CCCN(CC1=Cc3cc(Cl)ccc3OC1)C2
InChIInChI=1S/C20H26ClNO2/c1-23-19-4-2-7-20(19)8-3-9-22(14-20)12-15-10-16-11-17(21)5-6-18(16)24-13-15/h5-6,10-11,19H,2-4,7-9,12-14H2,1H3/t19-,20+/m1/s1
InChIKeyYDFRGTXMXSOHQB-UXHICEINSA-N
XLogP4.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane with MolForge

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Related Compounds

(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105810
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
3-[5-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 135089383
(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
1-[(6-chloro-2H-chromen-3-yl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163314072
N-[(1S,2S)-1'-[(6-chloro-2H-chromen-3-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 133131132
2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
CID 135104434
(4S,9aR)-8-[(6-chloro-2H-chromen-3-yl)methyl]-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 157016573
(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
CID 165427222
[4-[(6-chloro-2H-chromen-3-yl)methyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 134700369

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane (CID 135119230) is (4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane is CO[C@@H]1CCC[C@@]12CCCN(CC1=Cc3cc(Cl)ccc3OC1)C2.
What is the InChIKey of (4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The InChIKey is YDFRGTXMXSOHQB-UXHICEINSA-N. The full InChI is InChI=1S/C20H26ClNO2/c1-23-19-4-2-7-20(19)8-3-9-22(14-20)12-15-10-16-11-17(21)5-6-18(16)24-13-15/h5-6,10-11,19H,2-4,7-9,12-14H2,1H3/t19-,20+/m1/s1.
What are the key properties of (4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
(4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane has a molecular weight of 347.89 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-[(6-chloro-2H-chromen-3-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane is sourced from PubChem (CID 135119230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).