11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol

C12H16N2O2 — CID 164922633

IUPAC11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
SMILESOCC12CCCN1C1Cc3nocc3C1C2
InChIInChI=1S/C12H16N2O2/c15-7-12-2-1-3-14(12)11-4-10-9(6-16-13-10)8(11)5-12/h6,8,11,15H,1-5,7H2
InChIKeyUCBKLNCOBBWITG-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.91
Rot. Bonds1

About 11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol

11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol (PubChem CID 164922633) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol.

Molecular Properties

Compound Name11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
PubChem CID164922633
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
SMILESOCC12CCCN1C1Cc3nocc3C1C2
InChIInChI=1S/C12H16N2O2/c15-7-12-2-1-3-14(12)11-4-10-9(6-16-13-10)8(11)5-12/h6,8,11,15H,1-5,7H2
InChIKeyUCBKLNCOBBWITG-UHFFFAOYSA-N
XLogP0.91
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Methoxymethyl)-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 164922467
Ethane;11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
CID 164922741
11-Oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol
CID 164922742
Methyl 11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene-6-carboxylate
CID 164922758
Ethane;6-(ethoxymethyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 164922763
6-Methyl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 169560020
6-(2-Methylpropyl)-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 169560223
6-Propan-2-yl-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590794
6-[(2-Methylpropan-2-yl)oxymethyl]-11-oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590841
6-[(2-Methylpropan-2-yl)oxymethyl]-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590868
6-(3-Methylbutyl)-11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 171590891
11-Oxa-2,10-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-diene
CID 174160424

Frequently Asked Questions

What is the IUPAC name of 11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol?
The IUPAC name of 11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol (CID 164922633) is 11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol.
What is the SMILES notation for 11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol?
The canonical SMILES for 11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol is OCC12CCCN1C1Cc3nocc3C1C2.
What is the InChIKey of 11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol?
The InChIKey is UCBKLNCOBBWITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-7-12-2-1-3-14(12)11-4-10-9(6-16-13-10)8(11)5-12/h6,8,11,15H,1-5,7H2.
What are the key properties of 11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol?
11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol has a molecular weight of 220.27 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxa-2,12-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-9,12-dien-6-ylmethanol is sourced from PubChem (CID 164922633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).