N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine

C12H15NO3 — CID 43512405

IUPACN-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
SMILESCCNC1CCOc2cc3c(cc21)OCO3
InChIInChI=1S/C12H15NO3/c1-2-13-9-3-4-14-10-6-12-11(5-8(9)10)15-7-16-12/h5-6,9,13H,2-4,7H2,1H3
InChIKeyZYIGCOSVUMDKJG-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.85
Rot. Bonds2

About N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine

N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine (PubChem CID 43512405) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine.

Molecular Properties

Compound NameN-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
PubChem CID43512405
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
SMILESCCNC1CCOc2cc3c(cc21)OCO3
InChIInChI=1S/C12H15NO3/c1-2-13-9-3-4-14-10-6-12-11(5-8(9)10)15-7-16-12/h5-6,9,13H,2-4,7H2,1H3
InChIKeyZYIGCOSVUMDKJG-UHFFFAOYSA-N
XLogP1.85
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine?
The IUPAC name of N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine (CID 43512405) is N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine.
What is the SMILES notation for N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine?
The canonical SMILES for N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine is CCNC1CCOc2cc3c(cc21)OCO3.
What is the InChIKey of N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine?
The InChIKey is ZYIGCOSVUMDKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-13-9-3-4-14-10-6-12-11(5-8(9)10)15-7-16-12/h5-6,9,13H,2-4,7H2,1H3.
What are the key properties of N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine?
N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine has a molecular weight of 221.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine is sourced from PubChem (CID 43512405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).