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

C15H18ClNO2 — CID 15096041

IUPAC3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol
SMILESCN1CCc2c(Cl)ccc3oc(CCCO)c(c23)C1
InChIInChI=1S/C15H18ClNO2/c1-17-7-6-10-12(16)4-5-14-15(10)11(9-17)13(19-14)3-2-8-18/h4-5,18H,2-3,6-9H2,1H3
InChIKeyUUEDOUOMAPLSML-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.00
Rot. Bonds3

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

3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol (PubChem CID 15096041) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol
PubChem CID15096041
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol
SMILESCN1CCc2c(Cl)ccc3oc(CCCO)c(c23)C1
InChIInChI=1S/C15H18ClNO2/c1-17-7-6-10-12(16)4-5-14-15(10)11(9-17)13(19-14)3-2-8-18/h4-5,18H,2-3,6-9H2,1H3
InChIKeyUUEDOUOMAPLSML-UHFFFAOYSA-N
XLogP3.00
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol?
The IUPAC name of 3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol (CID 15096041) is 3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol.
What is the SMILES notation for 3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol?
The canonical SMILES for 3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol is CN1CCc2c(Cl)ccc3oc(CCCO)c(c23)C1.
What is the InChIKey of 3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol?
The InChIKey is UUEDOUOMAPLSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-17-7-6-10-12(16)4-5-14-15(10)11(9-17)13(19-14)3-2-8-18/h4-5,18H,2-3,6-9H2,1H3.
What are the key properties of 3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol?
3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol has a molecular weight of 279.77 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-11-methyl-3-oxa-11-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-2-yl)propan-1-ol is sourced from PubChem (CID 15096041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).