(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid

C15H17ClN2O3 — CID 22151344

IUPAC(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid
SMILESCN1CCc2c(Cl)ccc3oc(CN(C)C(=O)O)c(c23)C1
InChIInChI=1S/C15H17ClN2O3/c1-17-6-5-9-11(16)3-4-12-14(9)10(7-17)13(21-12)8-18(2)15(19)20/h3-4H,5-8H2,1-2H3,(H,19,20)
InChIKeyGWZHYOAHTBWLKZ-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.18
Rot. Bonds2

About (7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid

(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid (PubChem CID 22151344) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is (7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid.

Molecular Properties

Compound Name(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid
PubChem CID22151344
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid
SMILESCN1CCc2c(Cl)ccc3oc(CN(C)C(=O)O)c(c23)C1
InChIInChI=1S/C15H17ClN2O3/c1-17-6-5-9-11(16)3-4-12-14(9)10(7-17)13(21-12)8-18(2)15(19)20/h3-4H,5-8H2,1-2H3,(H,19,20)
InChIKeyGWZHYOAHTBWLKZ-UHFFFAOYSA-N
XLogP3.18
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid?
The IUPAC name of (7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid (CID 22151344) is (7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid.
What is the SMILES notation for (7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid?
The canonical SMILES for (7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid is CN1CCc2c(Cl)ccc3oc(CN(C)C(=O)O)c(c23)C1.
What is the InChIKey of (7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid?
The InChIKey is GWZHYOAHTBWLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-17-6-5-9-11(16)3-4-12-14(9)10(7-17)13(21-12)8-18(2)15(19)20/h3-4H,5-8H2,1-2H3,(H,19,20).
What are the key properties of (7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid?
(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid has a molecular weight of 308.76 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)methyl-methylcarbamic acid is sourced from PubChem (CID 22151344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).