7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C16H21NO3 — CID 114672412

IUPAC7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(C)C)C1)CC2=O
InChIInChI=1S/C16H21NO3/c1-11(2)17-7-6-16(10-17)9-14(18)13-5-4-12(19-3)8-15(13)20-16/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyZSOSYCKGLBQLLH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.51
Rot. Bonds2

About 7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 114672412) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID114672412
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(C)C)C1)CC2=O
InChIInChI=1S/C16H21NO3/c1-11(2)17-7-6-16(10-17)9-14(18)13-5-4-12(19-3)8-15(13)20-16/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyZSOSYCKGLBQLLH-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-piperidine]-4-one
CID 67986565
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
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'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
1'-(2-chloropropanoyl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746453
7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770657
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
7-methoxy-1'-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 51583615
7-methoxyspiro[3H-chromene-2,4'-oxepane]-4-one
CID 114672414

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 114672412) is 7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is COc1ccc2c(c1)OC1(CCN(C(C)C)C1)CC2=O.
What is the InChIKey of 7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is ZSOSYCKGLBQLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)17-7-6-16(10-17)9-14(18)13-5-4-12(19-3)8-15(13)20-16/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 275.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 114672412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).