7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one

C23H14ClNO2 — CID 15402191

IUPAC7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one
SMILESO=c1c2cc(Cl)ccc2oc2cc(-c3ccccc3)n(-c3ccccc3)c12
InChIInChI=1S/C23H14ClNO2/c24-16-11-12-20-18(13-16)23(26)22-21(27-20)14-19(15-7-3-1-4-8-15)25(22)17-9-5-2-6-10-17/h1-14H
InChIKeyUUXZEHFKOJOUOY-UHFFFAOYSA-N
MW371.82 g/mol
LogP6.06
Rot. Bonds2

About 7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one

7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one (PubChem CID 15402191) has the molecular formula C23H14ClNO2 and a molecular weight of 371.82 g/mol. Its IUPAC name is 7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one.

Molecular Properties

Compound Name7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one
PubChem CID15402191
Molecular FormulaC23H14ClNO2
Molecular Weight371.82 g/mol
Exact Mass371.07
IUPAC Name7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one
SMILESO=c1c2cc(Cl)ccc2oc2cc(-c3ccccc3)n(-c3ccccc3)c12
InChIInChI=1S/C23H14ClNO2/c24-16-11-12-20-18(13-16)23(26)22-21(27-20)14-19(15-7-3-1-4-8-15)25(22)17-9-5-2-6-10-17/h1-14H
InChIKeyUUXZEHFKOJOUOY-UHFFFAOYSA-N
XLogP6.06
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one?
The IUPAC name of 7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one (CID 15402191) is 7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one.
What is the SMILES notation for 7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one?
The canonical SMILES for 7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one is O=c1c2cc(Cl)ccc2oc2cc(-c3ccccc3)n(-c3ccccc3)c12.
What is the InChIKey of 7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one?
The InChIKey is UUXZEHFKOJOUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClNO2/c24-16-11-12-20-18(13-16)23(26)22-21(27-20)14-19(15-7-3-1-4-8-15)25(22)17-9-5-2-6-10-17/h1-14H.
What are the key properties of 7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one?
7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one has a molecular weight of 371.82 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2-diphenylchromeno[3,2-b]pyrrol-9-one is sourced from PubChem (CID 15402191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).