3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene

C17H24N2O — CID 169244382

IUPAC3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene
SMILESCC(C)N1CC2(CC3CCCN3C)Oc3cccc1c32
InChIInChI=1S/C17H24N2O/c1-12(2)19-11-17(10-13-6-5-9-18(13)3)16-14(19)7-4-8-15(16)20-17/h4,7-8,12-13H,5-6,9-11H2,1-3H3
InChIKeyQEWBBMSGNLQHDK-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.99
Rot. Bonds3

About 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene

3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene (PubChem CID 169244382) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene
PubChem CID169244382
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene
SMILESCC(C)N1CC2(CC3CCCN3C)Oc3cccc1c32
InChIInChI=1S/C17H24N2O/c1-12(2)19-11-17(10-13-6-5-9-18(13)3)16-14(19)7-4-8-15(16)20-17/h4,7-8,12-13H,5-6,9-11H2,1-3H3
InChIKeyQEWBBMSGNLQHDK-UHFFFAOYSA-N
XLogP2.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene (CID 169244382) is 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene is CC(C)N1CC2(CC3CCCN3C)Oc3cccc1c32.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene?
The InChIKey is QEWBBMSGNLQHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12(2)19-11-17(10-13-6-5-9-18(13)3)16-14(19)7-4-8-15(16)20-17/h4,7-8,12-13H,5-6,9-11H2,1-3H3.
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene?
3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene has a molecular weight of 272.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-2-oxa-5-azatricyclo[4.3.1.03,10]deca-1(9),6(10),7-triene is sourced from PubChem (CID 169244382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).