ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one

C15H24N2O2 — CID 142373704

IUPACethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one
SMILESCC.O=C1CNCC2COC3=CC4CC(C=C3N12)C4.[H][H]
InChIInChI=1S/C13H16N2O2.C2H6.H2/c16-13-6-14-5-10-7-17-12-4-9-1-8(2-9)3-11(12)15(10)13;1-2;/h3-4,8-10,14H,1-2,5-7H2;1-2H3;1H
InChIKeyUYUDUVBXEFNPJF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.90
Rot. Bonds

About ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one

ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one (PubChem CID 142373704) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one.

Molecular Properties

Compound Nameethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one
PubChem CID142373704
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one
SMILESCC.O=C1CNCC2COC3=CC4CC(C=C3N12)C4.[H][H]
InChIInChI=1S/C13H16N2O2.C2H6.H2/c16-13-6-14-5-10-7-17-12-4-9-1-8(2-9)3-11(12)15(10)13;1-2;/h3-4,8-10,14H,1-2,5-7H2;1-2H3;1H
InChIKeyUYUDUVBXEFNPJF-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one?
The IUPAC name of ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one (CID 142373704) is ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one.
What is the SMILES notation for ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one?
The canonical SMILES for ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one is CC.O=C1CNCC2COC3=CC4CC(C=C3N12)C4.[H][H].
What is the InChIKey of ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one?
The InChIKey is UYUDUVBXEFNPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.C2H6.H2/c16-13-6-14-5-10-7-17-12-4-9-1-8(2-9)3-11(12)15(10)13;1-2;/h3-4,8-10,14H,1-2,5-7H2;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one?
ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one has a molecular weight of 264.37 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one is sourced from PubChem (CID 142373704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).