1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C19H19NO2 — CID 130157727

IUPAC1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(Cc3ccccc3)C2)Oc2ccccc21
InChIInChI=1S/C19H19NO2/c21-17-12-19(22-18-9-5-4-8-16(17)18)10-11-20(14-19)13-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyVZYYWWSLAHYJEA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.30
Rot. Bonds2

About 1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one

1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 130157727) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID130157727
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCN(Cc3ccccc3)C2)Oc2ccccc21
InChIInChI=1S/C19H19NO2/c21-17-12-19(22-18-9-5-4-8-16(17)18)10-11-20(14-19)13-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyVZYYWWSLAHYJEA-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 91833197
(2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 124849629
N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586068
2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetic acid
CID 164694844
1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]
CID 19045403
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
N-benzyl-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetamide
CID 164696517
2-benzyl-6-oxa-2,8-diazaspiro[4.5]decan-7-one
CID 165471452
(E)-3-(1'-benzyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)-N-hydroxyprop-2-enamide
CID 51356716
1'-benzyl-8-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100761289
methyl (E)-3-(1'-benzyl-4-oxospiro[3H-chromene-2,3'-piperidine]-6-yl)prop-2-enoate
CID 67071602
N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide
CID 54242450

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 130157727) is 1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1CC2(CCN(Cc3ccccc3)C2)Oc2ccccc21.
What is the InChIKey of 1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is VZYYWWSLAHYJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-17-12-19(22-18-9-5-4-8-16(17)18)10-11-20(14-19)13-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 293.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 130157727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).