4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine

C10H14N2O2 — CID 159109525

IUPAC4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine
SMILESCC1(N)C=CC=C(N2OCCO2)C=C1
InChIInChI=1S/C10H14N2O2/c1-10(11)5-2-3-9(4-6-10)12-13-7-8-14-12/h2-6H,7-8,11H2,1H3
InChIKeyKEHRPHNNAMSOFH-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.89
Rot. Bonds1

About 4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine

4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine (PubChem CID 159109525) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine
PubChem CID159109525
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine
SMILESCC1(N)C=CC=C(N2OCCO2)C=C1
InChIInChI=1S/C10H14N2O2/c1-10(11)5-2-3-9(4-6-10)12-13-7-8-14-12/h2-6H,7-8,11H2,1H3
InChIKeyKEHRPHNNAMSOFH-UHFFFAOYSA-N
XLogP0.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of 4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine (CID 159109525) is 4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for 4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for 4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine is CC1(N)C=CC=C(N2OCCO2)C=C1.
What is the InChIKey of 4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is KEHRPHNNAMSOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(11)5-2-3-9(4-6-10)12-13-7-8-14-12/h2-6H,7-8,11H2,1H3.
What are the key properties of 4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine?
4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 194.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3,2-dioxazolidin-2-yl)-1-methylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 159109525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).