prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

C18H21NO5 — CID 108735806

IUPACprop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESC=CCOC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2
InChIInChI=1S/C18H21NO5/c1-3-10-23-17(21)19-8-6-18(7-9-19)12-15(20)14-5-4-13(22-2)11-16(14)24-18/h3-5,11H,1,6-10,12H2,2H3
InChIKeyIGIHJRQFWYCSGP-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.82
Rot. Bonds3

About prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 108735806) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
PubChem CID108735806
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Nameprop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESC=CCOC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2
InChIInChI=1S/C18H21NO5/c1-3-10-23-17(21)19-8-6-18(7-9-19)12-15(20)14-5-4-13(22-2)11-16(14)24-18/h3-5,11H,1,6-10,12H2,2H3
InChIKeyIGIHJRQFWYCSGP-UHFFFAOYSA-N
XLogP2.82
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758942
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735847
tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759723
1'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735755
1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758844

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (CID 108735806) is prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is C=CCOC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2.
What is the InChIKey of prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is IGIHJRQFWYCSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-3-10-23-17(21)19-8-6-18(7-9-19)12-15(20)14-5-4-13(22-2)11-16(14)24-18/h3-5,11H,1,6-10,12H2,2H3.
What are the key properties of prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 108735806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).