3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one

C14H10N2O3 — CID 10354942

IUPAC3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one
SMILESO=C1OC(CO)c2c1ncc1[nH]c3ccccc3c21
InChIInChI=1S/C14H10N2O3/c17-6-10-12-11-7-3-1-2-4-8(7)16-9(11)5-15-13(12)14(18)19-10/h1-5,10,16-17H,6H2
InChIKeyLEGQLTDMFNLUQJ-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.92
Rot. Bonds1

About 3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one

3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one (PubChem CID 10354942) has the molecular formula C14H10N2O3 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one
PubChem CID10354942
Molecular FormulaC14H10N2O3
Molecular Weight254.24 g/mol
Exact Mass254.07
IUPAC Name3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one
SMILESO=C1OC(CO)c2c1ncc1[nH]c3ccccc3c21
InChIInChI=1S/C14H10N2O3/c17-6-10-12-11-7-3-1-2-4-8(7)16-9(11)5-15-13(12)14(18)19-10/h1-5,10,16-17H,6H2
InChIKeyLEGQLTDMFNLUQJ-UHFFFAOYSA-N
XLogP1.92
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
The IUPAC name of 3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one (CID 10354942) is 3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one.
What is the SMILES notation for 3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
The canonical SMILES for 3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one is O=C1OC(CO)c2c1ncc1[nH]c3ccccc3c21.
What is the InChIKey of 3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
The InChIKey is LEGQLTDMFNLUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-6-10-12-11-7-3-1-2-4-8(7)16-9(11)5-15-13(12)14(18)19-10/h1-5,10,16-17H,6H2.
What are the key properties of 3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one?
3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one has a molecular weight of 254.24 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-5-one is sourced from PubChem (CID 10354942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).