4-(indol-1-ylmethyl)-1,3-dioxolan-2-one

C12H11NO3 — CID 121011576

IUPAC4-(indol-1-ylmethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(Cn2ccc3ccccc32)O1
InChIInChI=1S/C12H11NO3/c14-12-15-8-10(16-12)7-13-6-5-9-3-1-2-4-11(9)13/h1-6,10H,7-8H2
InChIKeyRTERLCQAHHLEKK-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.18
Rot. Bonds2

About 4-(indol-1-ylmethyl)-1,3-dioxolan-2-one

4-(indol-1-ylmethyl)-1,3-dioxolan-2-one (PubChem CID 121011576) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-(indol-1-ylmethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(indol-1-ylmethyl)-1,3-dioxolan-2-one
PubChem CID121011576
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-(indol-1-ylmethyl)-1,3-dioxolan-2-one
SMILESO=C1OCC(Cn2ccc3ccccc32)O1
InChIInChI=1S/C12H11NO3/c14-12-15-8-10(16-12)7-13-6-5-9-3-1-2-4-11(9)13/h1-6,10H,7-8H2
InChIKeyRTERLCQAHHLEKK-UHFFFAOYSA-N
XLogP2.18
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(indol-1-ylmethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(indol-1-ylmethyl)-1,3-dioxolan-2-one (CID 121011576) is 4-(indol-1-ylmethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(indol-1-ylmethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(indol-1-ylmethyl)-1,3-dioxolan-2-one is O=C1OCC(Cn2ccc3ccccc32)O1.
What is the InChIKey of 4-(indol-1-ylmethyl)-1,3-dioxolan-2-one?
The InChIKey is RTERLCQAHHLEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-12-15-8-10(16-12)7-13-6-5-9-3-1-2-4-11(9)13/h1-6,10H,7-8H2.
What are the key properties of 4-(indol-1-ylmethyl)-1,3-dioxolan-2-one?
4-(indol-1-ylmethyl)-1,3-dioxolan-2-one has a molecular weight of 217.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(indol-1-ylmethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 121011576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).