(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene

C18H23NO — CID 70524206

IUPAC(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene
SMILESCN1CCC2=CC=CC/C2=C/OC2=CC=CCC2CC1
InChIInChI=1S/C18H23NO/c1-19-12-10-15-6-2-3-8-17(15)14-20-18-9-5-4-7-16(18)11-13-19/h2-6,9,14,16H,7-8,10-13H2,1H3/b17-14-
InChIKeyHVVCYNKVQMFVPV-VKAVYKQESA-N
MW269.39 g/mol
LogP3.96
Rot. Bonds

About (3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene

(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene (PubChem CID 70524206) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene.

Molecular Properties

Compound Name(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene
PubChem CID70524206
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene
SMILESCN1CCC2=CC=CC/C2=C/OC2=CC=CCC2CC1
InChIInChI=1S/C18H23NO/c1-19-12-10-15-6-2-3-8-17(15)14-20-18-9-5-4-7-16(18)11-13-19/h2-6,9,14,16H,7-8,10-13H2,1H3/b17-14-
InChIKeyHVVCYNKVQMFVPV-VKAVYKQESA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene?
The IUPAC name of (3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene (CID 70524206) is (3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene.
What is the SMILES notation for (3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene?
The canonical SMILES for (3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene is CN1CCC2=CC=CC/C2=C/OC2=CC=CCC2CC1.
What is the InChIKey of (3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene?
The InChIKey is HVVCYNKVQMFVPV-VKAVYKQESA-N. The full InChI is InChI=1S/C18H23NO/c1-19-12-10-15-6-2-3-8-17(15)14-20-18-9-5-4-7-16(18)11-13-19/h2-6,9,14,16H,7-8,10-13H2,1H3/b17-14-.
What are the key properties of (3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene?
(3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene has a molecular weight of 269.39 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-12-methyl-2-oxa-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),3,6,8,17-pentaene is sourced from PubChem (CID 70524206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).