4-(1,3-dioxol-2-yl)-N-methylaniline

C10H11NO2 — CID 66706726

IUPAC4-(1,3-dioxol-2-yl)-N-methylaniline
SMILESCNc1ccc(C2OC=CO2)cc1
InChIInChI=1S/C10H11NO2/c1-11-9-4-2-8(3-5-9)10-12-6-7-13-10/h2-7,10-11H,1H3
InChIKeyGMVMRYYUBLMMIX-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.24
Rot. Bonds2

About 4-(1,3-dioxol-2-yl)-N-methylaniline

4-(1,3-dioxol-2-yl)-N-methylaniline (PubChem CID 66706726) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-(1,3-dioxol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(1,3-dioxol-2-yl)-N-methylaniline
PubChem CID66706726
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-(1,3-dioxol-2-yl)-N-methylaniline
SMILESCNc1ccc(C2OC=CO2)cc1
InChIInChI=1S/C10H11NO2/c1-11-9-4-2-8(3-5-9)10-12-6-7-13-10/h2-7,10-11H,1H3
InChIKeyGMVMRYYUBLMMIX-UHFFFAOYSA-N
XLogP2.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxol-2-yl)-N-methylaniline?
The IUPAC name of 4-(1,3-dioxol-2-yl)-N-methylaniline (CID 66706726) is 4-(1,3-dioxol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(1,3-dioxol-2-yl)-N-methylaniline?
The canonical SMILES for 4-(1,3-dioxol-2-yl)-N-methylaniline is CNc1ccc(C2OC=CO2)cc1.
What is the InChIKey of 4-(1,3-dioxol-2-yl)-N-methylaniline?
The InChIKey is GMVMRYYUBLMMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-11-9-4-2-8(3-5-9)10-12-6-7-13-10/h2-7,10-11H,1H3.
What are the key properties of 4-(1,3-dioxol-2-yl)-N-methylaniline?
4-(1,3-dioxol-2-yl)-N-methylaniline has a molecular weight of 177.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxol-2-yl)-N-methylaniline is sourced from PubChem (CID 66706726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).