2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C17H17NO3 — CID 139229832

IUPAC2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2CN1C1CCCCC1
InChIInChI=1S/C17H17NO3/c19-15-12-8-4-5-9-14(12)21-16-13(15)10-18(17(16)20)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyBIJZSSFCEDIHND-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.08
Rot. Bonds1

About 2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 139229832) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID139229832
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2CN1C1CCCCC1
InChIInChI=1S/C17H17NO3/c19-15-12-8-4-5-9-14(12)21-16-13(15)10-18(17(16)20)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2
InChIKeyBIJZSSFCEDIHND-UHFFFAOYSA-N
XLogP3.08
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 139229832) is 2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2CN1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BIJZSSFCEDIHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-15-12-8-4-5-9-14(12)21-16-13(15)10-18(17(16)20)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2.
What are the key properties of 2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 283.33 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 139229832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).