[1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol

C16H21NO — CID 116993256

IUPAC[1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol
SMILESOCC1(c2cc3c4c(c2)CCCN4CCC3)CC1
InChIInChI=1S/C16H21NO/c18-11-16(5-6-16)14-9-12-3-1-7-17-8-2-4-13(10-14)15(12)17/h9-10,18H,1-8,11H2
InChIKeyRWESBYXEZJRWDV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.41
Rot. Bonds2

About [1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol

[1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol (PubChem CID 116993256) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is [1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol
PubChem CID116993256
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name[1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol
SMILESOCC1(c2cc3c4c(c2)CCCN4CCC3)CC1
InChIInChI=1S/C16H21NO/c18-11-16(5-6-16)14-9-12-3-1-7-17-8-2-4-13(10-14)15(12)17/h9-10,18H,1-8,11H2
InChIKeyRWESBYXEZJRWDV-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol?
The IUPAC name of [1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol (CID 116993256) is [1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol.
What is the SMILES notation for [1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol?
The canonical SMILES for [1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol is OCC1(c2cc3c4c(c2)CCCN4CCC3)CC1.
What is the InChIKey of [1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol?
The InChIKey is RWESBYXEZJRWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-11-16(5-6-16)14-9-12-3-1-7-17-8-2-4-13(10-14)15(12)17/h9-10,18H,1-8,11H2.
What are the key properties of [1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol?
[1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol has a molecular weight of 243.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)cyclopropyl]methanol is sourced from PubChem (CID 116993256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).