12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol

C17H21NO2 — CID 177141992

IUPAC12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol
SMILESCC1Cc2c(oc3ccc(O)cc23)C2CCCN1C2C
InChIInChI=1S/C17H21NO2/c1-10-8-15-14-9-12(19)5-6-16(14)20-17(15)13-4-3-7-18(10)11(13)2/h5-6,9-11,13,19H,3-4,7-8H2,1-2H3
InChIKeyIIAVZRJAMANVOZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.65
Rot. Bonds

About 12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol

12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol (PubChem CID 177141992) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol.

Molecular Properties

Compound Name12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol
PubChem CID177141992
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol
SMILESCC1Cc2c(oc3ccc(O)cc23)C2CCCN1C2C
InChIInChI=1S/C17H21NO2/c1-10-8-15-14-9-12(19)5-6-16(14)20-17(15)13-4-3-7-18(10)11(13)2/h5-6,9-11,13,19H,3-4,7-8H2,1-2H3
InChIKeyIIAVZRJAMANVOZ-UHFFFAOYSA-N
XLogP3.65
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol?
The IUPAC name of 12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol (CID 177141992) is 12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol.
What is the SMILES notation for 12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol?
The canonical SMILES for 12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol is CC1Cc2c(oc3ccc(O)cc23)C2CCCN1C2C.
What is the InChIKey of 12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol?
The InChIKey is IIAVZRJAMANVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-10-8-15-14-9-12(19)5-6-16(14)20-17(15)13-4-3-7-18(10)11(13)2/h5-6,9-11,13,19H,3-4,7-8H2,1-2H3.
What are the key properties of 12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol?
12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol has a molecular weight of 271.36 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,17-dimethyl-3-oxa-13-azatetracyclo[11.3.1.02,10.04,9]heptadeca-2(10),4(9),5,7-tetraen-7-ol is sourced from PubChem (CID 177141992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).