4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one

C18H18N2O2 — CID 90097750

IUPAC4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
SMILESCC(C)c1ccc2c(c1)OC1(N)c3ccccc3C(=O)C21N
InChIInChI=1S/C18H18N2O2/c1-10(2)11-7-8-14-15(9-11)22-18(20)13-6-4-3-5-12(13)16(21)17(14,18)19/h3-10H,19-20H2,1-2H3
InChIKeyNNPZVFIBGZYBCC-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.36
Rot. Bonds1

About 4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one

4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one (PubChem CID 90097750) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one.

Molecular Properties

Compound Name4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
PubChem CID90097750
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
SMILESCC(C)c1ccc2c(c1)OC1(N)c3ccccc3C(=O)C21N
InChIInChI=1S/C18H18N2O2/c1-10(2)11-7-8-14-15(9-11)22-18(20)13-6-4-3-5-12(13)16(21)17(14,18)19/h3-10H,19-20H2,1-2H3
InChIKeyNNPZVFIBGZYBCC-UHFFFAOYSA-N
XLogP2.36
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The IUPAC name of 4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one (CID 90097750) is 4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one.
What is the SMILES notation for 4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The canonical SMILES for 4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one is CC(C)c1ccc2c(c1)OC1(N)c3ccccc3C(=O)C21N.
What is the InChIKey of 4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
The InChIKey is NNPZVFIBGZYBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-10(2)11-7-8-14-15(9-11)22-18(20)13-6-4-3-5-12(13)16(21)17(14,18)19/h3-10H,19-20H2,1-2H3.
What are the key properties of 4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one?
4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one has a molecular weight of 294.35 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,9b-diamino-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one is sourced from PubChem (CID 90097750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).