7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole

C12H13NO2 — CID 153438844

IUPAC7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole
SMILESCC(C)c1cc2c3c(ccc2[nH]1)OCO3
InChIInChI=1S/C12H13NO2/c1-7(2)10-5-8-9(13-10)3-4-11-12(8)15-6-14-11/h3-5,7,13H,6H2,1-2H3
InChIKeyHKMJFDNSHXTPDT-UHFFFAOYSA-N
MW203.24 g/mol
LogP3.02
Rot. Bonds1

About 7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole

7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole (PubChem CID 153438844) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole.

Molecular Properties

Compound Name7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole
PubChem CID153438844
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole
SMILESCC(C)c1cc2c3c(ccc2[nH]1)OCO3
InChIInChI=1S/C12H13NO2/c1-7(2)10-5-8-9(13-10)3-4-11-12(8)15-6-14-11/h3-5,7,13H,6H2,1-2H3
InChIKeyHKMJFDNSHXTPDT-UHFFFAOYSA-N
XLogP3.02
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-propan-2-ylbenzo[g][1,3]benzodioxole
CID 20616814
7-methyl-6H-[1,3]dioxolo[4,5-e]benzimidazole
CID 134174901
4-fluorosulfonyloxy-5-propan-2-yl-1,3-benzodioxole
CID 151378928
4-fluoro-2-propan-2-yl-5-propan-2-yloxy-1H-indole
CID 126732660
5-methylbenzo[g][1,3]benzodioxole
CID 90367464
N,N-diethyl-1-[(5-propan-2-yl-1,3-benzodioxol-4-yl)oxy]ethanamine
CID 151761887
9-chloro-3,7-dihydro-2H-[1,4]dioxino[2,3-f]quinolin-8-one
CID 90741201
bis(6H-[1,3]dioxolo[4,5-f]quinazoline-7,9-dione);hydrate
CID 70434049
1-(4-methyl-1,3-benzodioxol-5-yl)ethanol
CID 84657265
4,5-dimethyl-1,3-benzodioxole
CID 12958464
(4-methoxy-1,3-benzodioxol-5-yl)methanamine
CID 21294011
4-(3-methyl-2-propan-2-ylbutyl)-1,3-benzodioxole
CID 126542882

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole?
The IUPAC name of 7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole (CID 153438844) is 7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole.
What is the SMILES notation for 7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole?
The canonical SMILES for 7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole is CC(C)c1cc2c3c(ccc2[nH]1)OCO3.
What is the InChIKey of 7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole?
The InChIKey is HKMJFDNSHXTPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)10-5-8-9(13-10)3-4-11-12(8)15-6-14-11/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole?
7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole has a molecular weight of 203.24 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-6H-[1,3]dioxolo[4,5-e]indole is sourced from PubChem (CID 153438844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).