2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone

C19H25NO3 — CID 95122993

IUPAC2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone
SMILESCC(C)OCC(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C19H25NO3/c1-15(2)22-14-18(21)20-12-5-9-19(11-13-20)10-8-16-6-3-4-7-17(16)23-19/h3-4,6-8,10,15H,5,9,11-14H2,1-2H3/t19-/m0/s1
InChIKeyBNTHDIIFIUKPAW-IBGZPJMESA-N
MW315.41 g/mol
LogP3.27
Rot. Bonds3

About 2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone

2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone (PubChem CID 95122993) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone.

Molecular Properties

Compound Name2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone
PubChem CID95122993
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone
SMILESCC(C)OCC(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C19H25NO3/c1-15(2)22-14-18(21)20-12-5-9-19(11-13-20)10-8-16-6-3-4-7-17(16)23-19/h3-4,6-8,10,15H,5,9,11-14H2,1-2H3/t19-/m0/s1
InChIKeyBNTHDIIFIUKPAW-IBGZPJMESA-N
XLogP3.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethylspiro[azepane-4,2'-chromene]-1-carboxamide
CID 50965687
(3,5-dihydroxy-4-methylphenyl)-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95125753
(2-methoxypyrimidin-5-yl)-[(4S)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95125230
[2-(methylamino)-3-pyridinyl]-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methanone
CID 95147443
2-(3-oxo-3-spiro[chromene-2,4'-piperidine]-1'-ylpropyl)benzoic acid
CID 167949320
2-(spiro[azepane-4,2'-chromene]-1-carbonyl)benzonitrile
CID 50964126
3-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-pyridin-2-one
CID 95127743
spiro[azepane-4,2'-chromene]-1-yl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 50960991
2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
CID 68981311
2-[(4S)-spiro[azepane-4,2'-chromene]-1-carbonyl]-1H-quinolin-4-one
CID 95228152
isoquinolin-5-yl(spiro[azepane-4,2'-chromene]-1-yl)methanone
CID 50959341
N,N-diethyl-6-phenylspiro[chromene-2,4'-piperidine]-1'-carboxamide
CID 108730414

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone?
The IUPAC name of 2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone (CID 95122993) is 2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone.
What is the SMILES notation for 2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone?
The canonical SMILES for 2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone is CC(C)OCC(=O)N1CCC[C@]2(C=Cc3ccccc3O2)CC1.
What is the InChIKey of 2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone?
The InChIKey is BNTHDIIFIUKPAW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25NO3/c1-15(2)22-14-18(21)20-12-5-9-19(11-13-20)10-8-16-6-3-4-7-17(16)23-19/h3-4,6-8,10,15H,5,9,11-14H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone?
2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone has a molecular weight of 315.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone is sourced from PubChem (CID 95122993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).