6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one

C19H19NO3 — CID 82045706

IUPAC6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCNC2)Oc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C19H19NO3/c21-17-11-19(8-9-20-13-19)23-18-7-6-15(10-16(17)18)22-12-14-4-2-1-3-5-14/h1-7,10,20H,8-9,11-13H2
InChIKeyNAHXMKIDWCJWLT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.96
Rot. Bonds3

About 6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one

6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 82045706) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID82045706
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1CC2(CCNC2)Oc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C19H19NO3/c21-17-11-19(8-9-20-13-19)23-18-7-6-15(10-16(17)18)22-12-14-4-2-1-3-5-14/h1-7,10,20H,8-9,11-13H2
InChIKeyNAHXMKIDWCJWLT-UHFFFAOYSA-N
XLogP2.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207107
6-hydroxyspiro[3H-chromene-2,3'-azetidine]-4-one
CID 121207071
1'-benzylsulfonyl-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760013
(4-oxospiro[3H-chromene-2,1'-cyclohexane]-6-yl) benzenesulfonate
CID 10761803
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
5-ethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 82045708
spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663844
(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
CID 68984003
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
6,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 66524938
2-phenylmethoxy-1-oxa-3,8-diazaspiro[4.5]dec-2-ene
CID 70579481

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of 6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 82045706) is 6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for 6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for 6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1CC2(CCNC2)Oc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of 6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is NAHXMKIDWCJWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-17-11-19(8-9-20-13-19)23-18-7-6-15(10-16(17)18)22-12-14-4-2-1-3-5-14/h1-7,10,20H,8-9,11-13H2.
What are the key properties of 6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one?
6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 309.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 82045706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).