3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol

C10H7NO3 — CID 10655251

IUPAC3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol
SMILESOCc1cc2cnc3occc3c2o1
InChIInChI=1S/C10H7NO3/c12-5-7-3-6-4-11-10-8(1-2-13-10)9(6)14-7/h1-4,12H,5H2
InChIKeyDIXFJIMOXJLBCW-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.07
Rot. Bonds1

About 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol

3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol (PubChem CID 10655251) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol.

Molecular Properties

Compound Name3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol
PubChem CID10655251
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol
SMILESOCc1cc2cnc3occc3c2o1
InChIInChI=1S/C10H7NO3/c12-5-7-3-6-4-11-10-8(1-2-13-10)9(6)14-7/h1-4,12H,5H2
InChIKeyDIXFJIMOXJLBCW-UHFFFAOYSA-N
XLogP2.07
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol with MolForge

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Related Compounds

3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-4-carboxylic acid
CID 112545408
(7-methylfuro[3,2-c]pyridin-2-yl)methanol
CID 89325125
[5-[(1S)-1-aminoethyl]furo[2,3-b]pyridin-2-yl]methanol
CID 130693886
(4-aminofuro[2,3-c]quinolin-2-yl)methanol
CID 73293922
2-[(5-phenyltetrazol-2-yl)methyl]furo[3,2-c]quinoline
CID 142717491
(7-chloro-4-methyl-1-benzofuran-2-yl)methanol
CID 65439177
(7-chloro-5-methyl-1-benzofuran-2-yl)methanol
CID 65440518
(5,7-difluoro-1-benzofuran-4-yl)methanol
CID 117279692
furan-2-ylmethanol;[5-(hydroxymethyl)furan-2-yl]methanol
CID 174941274
(5,7-ditert-butyl-1-benzofuran-2-yl)methanol
CID 65439941
(3-iodofuro[2,3-b]pyridin-5-yl)methanol
CID 133061609
CID 59303842
CID 59303842

Frequently Asked Questions

What is the IUPAC name of 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol?
The IUPAC name of 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol (CID 10655251) is 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol.
What is the SMILES notation for 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol?
The canonical SMILES for 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol is OCc1cc2cnc3occc3c2o1.
What is the InChIKey of 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol?
The InChIKey is DIXFJIMOXJLBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-5-7-3-6-4-11-10-8(1-2-13-10)9(6)14-7/h1-4,12H,5H2.
What are the key properties of 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol?
3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol has a molecular weight of 189.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dioxa-8-azatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-ylmethanol is sourced from PubChem (CID 10655251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).