(2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

C20H22N2O2 — CID 124849629

IUPAC(2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1C[C@]2(CCN(CCCc3cccnc3)C2)Oc2ccccc21
InChIInChI=1S/C20H22N2O2/c23-18-13-20(24-19-8-2-1-7-17(18)19)9-12-22(15-20)11-4-6-16-5-3-10-21-14-16/h1-3,5,7-8,10,14H,4,6,9,11-13,15H2/t20-/m0/s1
InChIKeyPDJVROIBRINJRA-FQEVSTJZSA-N
MW322.41 g/mol
LogP3.12
Rot. Bonds4

About (2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one

(2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (PubChem CID 124849629) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.

Molecular Properties

Compound Name(2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
PubChem CID124849629
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
SMILESO=C1C[C@]2(CCN(CCCc3cccnc3)C2)Oc2ccccc21
InChIInChI=1S/C20H22N2O2/c23-18-13-20(24-19-8-2-1-7-17(18)19)9-12-22(15-20)11-4-6-16-5-3-10-21-14-16/h1-3,5,7-8,10,14H,4,6,9,11-13,15H2/t20-/m0/s1
InChIKeyPDJVROIBRINJRA-FQEVSTJZSA-N
XLogP3.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(3-pyrazol-1-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 91833197
1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164690880
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
(2S)-1'-pyridin-3-ylsulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97355023
N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide
CID 124852050
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 97393132
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
N-benzyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxamide
CID 90586068
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 128731486
8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 91578541
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The IUPAC name of (2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one (CID 124849629) is (2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one.
What is the SMILES notation for (2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The canonical SMILES for (2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is O=C1C[C@]2(CCN(CCCc3cccnc3)C2)Oc2ccccc21.
What is the InChIKey of (2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
The InChIKey is PDJVROIBRINJRA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-18-13-20(24-19-8-2-1-7-17(18)19)9-12-22(15-20)11-4-6-16-5-3-10-21-14-16/h1-3,5,7-8,10,14H,4,6,9,11-13,15H2/t20-/m0/s1.
What are the key properties of (2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one?
(2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one has a molecular weight of 322.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-(3-pyridin-3-ylpropyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one is sourced from PubChem (CID 124849629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).