1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol

C15H20N2O — CID 10263876

IUPAC1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol
SMILESOC1CCN2c3c1cccc3C1CCNCCC12
InChIInChI=1S/C15H20N2O/c18-14-6-9-17-13-5-8-16-7-4-10(13)11-2-1-3-12(14)15(11)17/h1-3,10,13-14,16,18H,4-9H2
InChIKeyYCUWIJWUDPCRIL-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.78
Rot. Bonds

About 1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol

1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol (PubChem CID 10263876) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol.

Molecular Properties

Compound Name1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol
PubChem CID10263876
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol
SMILESOC1CCN2c3c1cccc3C1CCNCCC12
InChIInChI=1S/C15H20N2O/c18-14-6-9-17-13-5-8-16-7-4-10(13)11-2-1-3-12(14)15(11)17/h1-3,10,13-14,16,18H,4-9H2
InChIKeyYCUWIJWUDPCRIL-UHFFFAOYSA-N
XLogP1.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol with MolForge

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Related Compounds

(11R,16S)-7,10,14-triazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
CID 137458700
1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 22036799
(11R,16S)-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
CID 20576995
4-chloro-8,11-diazatetracyclo[9.7.1.05,19.012,18]nonadeca-1(19),2,4-triene
CID 10062837
(2R,8S)-1,6-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9,11,13(17)-triene
CID 86593178
(10R,15S)-4-propan-2-yl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 21302498
(10R,15S)-4-ethyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 21302497
(11R,13R,15R)-13-methyl-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene
CID 23652290
[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol
CID 103983164
(10R,15S)-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-12-carboxylic acid
CID 69471166
(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
CID 163538755
3-(2,6-difluorophenyl)-7-thia-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-triene
CID 22744042

Frequently Asked Questions

What is the IUPAC name of 1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol?
The IUPAC name of 1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol (CID 10263876) is 1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol.
What is the SMILES notation for 1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol?
The canonical SMILES for 1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol is OC1CCN2c3c1cccc3C1CCNCCC12.
What is the InChIKey of 1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol?
The InChIKey is YCUWIJWUDPCRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-14-6-9-17-13-5-8-16-7-4-10(13)11-2-1-3-12(14)15(11)17/h1-3,10,13-14,16,18H,4-9H2.
What are the key properties of 1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol?
1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol has a molecular weight of 244.34 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-14-ol is sourced from PubChem (CID 10263876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).