[5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C23H29NO4 — CID 24768498

IUPAC[5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc4c(cc23)OCO4)C1(C)C
InChIInChI=1S/C23H29NO4/c1-22(2)21(23(22,3)4)20(25)16-12-24(11-14-5-7-26-8-6-14)17-10-19-18(9-15(16)17)27-13-28-19/h9-10,12,14,21H,5-8,11,13H2,1-4H3
InChIKeyXRCNHDKTUWVWGJ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.66
Rot. Bonds4

About [5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 24768498) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is [5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID24768498
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name[5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc4c(cc23)OCO4)C1(C)C
InChIInChI=1S/C23H29NO4/c1-22(2)21(23(22,3)4)20(25)16-12-24(11-14-5-7-26-8-6-14)17-10-19-18(9-15(16)17)27-13-28-19/h9-10,12,14,21H,5-8,11,13H2,1-4H3
InChIKeyXRCNHDKTUWVWGJ-UHFFFAOYSA-N
XLogP4.66
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 24768498) is [5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc4c(cc23)OCO4)C1(C)C.
What is the InChIKey of [5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is XRCNHDKTUWVWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-22(2)21(23(22,3)4)20(25)16-12-24(11-14-5-7-26-8-6-14)17-10-19-18(9-15(16)17)27-13-28-19/h9-10,12,14,21H,5-8,11,13H2,1-4H3.
What are the key properties of [5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 383.49 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-ylmethyl)-[1,3]dioxolo[4,5-f]indol-7-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 24768498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).