2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one

C19H15N3O2 — CID 19992353

IUPAC2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
SMILESCC1(C)C(=O)Nc2cc3oc(-c4cc5ccccc5[nH]4)nc3cc21
InChIInChI=1S/C19H15N3O2/c1-19(2)11-8-14-16(9-13(11)22-18(19)23)24-17(21-14)15-7-10-5-3-4-6-12(10)20-15/h3-9,20H,1-2H3,(H,22,23)
InChIKeyZCXBNXHUCXKYLP-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.21
Rot. Bonds1

About 2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one

2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one (PubChem CID 19992353) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
PubChem CID19992353
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
SMILESCC1(C)C(=O)Nc2cc3oc(-c4cc5ccccc5[nH]4)nc3cc21
InChIInChI=1S/C19H15N3O2/c1-19(2)11-8-14-16(9-13(11)22-18(19)23)24-17(21-14)15-7-10-5-3-4-6-12(10)20-15/h3-9,20H,1-2H3,(H,22,23)
InChIKeyZCXBNXHUCXKYLP-UHFFFAOYSA-N
XLogP4.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The IUPAC name of 2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one (CID 19992353) is 2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one.
What is the SMILES notation for 2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The canonical SMILES for 2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one is CC1(C)C(=O)Nc2cc3oc(-c4cc5ccccc5[nH]4)nc3cc21.
What is the InChIKey of 2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
The InChIKey is ZCXBNXHUCXKYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-19(2)11-8-14-16(9-13(11)22-18(19)23)24-17(21-14)15-7-10-5-3-4-6-12(10)20-15/h3-9,20H,1-2H3,(H,22,23).
What are the key properties of 2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one?
2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one has a molecular weight of 317.35 g/mol, XLogP of 4.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-7,7-dimethyl-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one is sourced from PubChem (CID 19992353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).