(3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione

C18H12ClNO3 — CID 122221121

IUPAC(3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione
SMILESO=C1C=C(c2ccc(Cl)cc2)C[C@@]2(O1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H12ClNO3/c19-13-7-5-11(6-8-13)12-9-16(21)23-18(10-12)14-3-1-2-4-15(14)20-17(18)22/h1-9H,10H2,(H,20,22)/t18-/m0/s1
InChIKeyVZBWIALSZZLQNN-SFHVURJKSA-N
MW325.75 g/mol
LogP3.52
Rot. Bonds1

About (3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione

(3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione (PubChem CID 122221121) has the molecular formula C18H12ClNO3 and a molecular weight of 325.75 g/mol. Its IUPAC name is (3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione.

Molecular Properties

Compound Name(3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione
PubChem CID122221121
Molecular FormulaC18H12ClNO3
Molecular Weight325.75 g/mol
Exact Mass325.05
IUPAC Name(3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione
SMILESO=C1C=C(c2ccc(Cl)cc2)C[C@@]2(O1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H12ClNO3/c19-13-7-5-11(6-8-13)12-9-16(21)23-18(10-12)14-3-1-2-4-15(14)20-17(18)22/h1-9H,10H2,(H,20,22)/t18-/m0/s1
InChIKeyVZBWIALSZZLQNN-SFHVURJKSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[1H-indole-3,2'-3,4-dihydrochromene]-2-one
CID 166063555
(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
CID 139218215
spiro[1H-indole-3,8'-3,7-dihydro-2H-furo[3,2-h][1,4]benzodioxine]-2-one
CID 90146106
(3R)-4'-[(4-chlorophenyl)-hydroxymethylidene]spiro[1H-indole-3,5'-oxolane]-2,2',3'-trione
CID 95166402
(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
CID 162959161
(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305780
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one
CID 102263352
(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 41368279
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
3,3-dichloro-1H-indol-2-one
CID 719018
4-[(3S)-3'-(4-chlorophenyl)-2-oxospiro[1H-indole-3,5'-4H-pyrazole]-1'-yl]-4-oxobutanoic acid
CID 41009654
(2R)-2,4-diphenyl-2-(trifluoromethyl)-3H-pyran-6-one
CID 102487045

Frequently Asked Questions

What is the IUPAC name of (3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione?
The IUPAC name of (3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione (CID 122221121) is (3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione.
What is the SMILES notation for (3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione?
The canonical SMILES for (3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione is O=C1C=C(c2ccc(Cl)cc2)C[C@@]2(O1)C(=O)Nc1ccccc12.
What is the InChIKey of (3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione?
The InChIKey is VZBWIALSZZLQNN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H12ClNO3/c19-13-7-5-11(6-8-13)12-9-16(21)23-18(10-12)14-3-1-2-4-15(14)20-17(18)22/h1-9H,10H2,(H,20,22)/t18-/m0/s1.
What are the key properties of (3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione?
(3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione has a molecular weight of 325.75 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione is sourced from PubChem (CID 122221121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).