[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol

C17H20N2O — CID 116996119

IUPAC[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol
SMILESOCC1(c2ccc3[nH]c4c(c3c2)C2CCN4CC2)CC1
InChIInChI=1S/C17H20N2O/c20-10-17(5-6-17)12-1-2-14-13(9-12)15-11-3-7-19(8-4-11)16(15)18-14/h1-2,9,11,18,20H,3-8,10H2
InChIKeyLIHIBCJOZCQVCL-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.89
Rot. Bonds2

About [1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol

[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol (PubChem CID 116996119) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is [1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol
PubChem CID116996119
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol
SMILESOCC1(c2ccc3[nH]c4c(c3c2)C2CCN4CC2)CC1
InChIInChI=1S/C17H20N2O/c20-10-17(5-6-17)12-1-2-14-13(9-12)15-11-3-7-19(8-4-11)16(15)18-14/h1-2,9,11,18,20H,3-8,10H2
InChIKeyLIHIBCJOZCQVCL-UHFFFAOYSA-N
XLogP2.89
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol?
The IUPAC name of [1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol (CID 116996119) is [1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol.
What is the SMILES notation for [1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol?
The canonical SMILES for [1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol is OCC1(c2ccc3[nH]c4c(c3c2)C2CCN4CC2)CC1.
What is the InChIKey of [1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol?
The InChIKey is LIHIBCJOZCQVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-10-17(5-6-17)12-1-2-14-13(9-12)15-11-3-7-19(8-4-11)16(15)18-14/h1-2,9,11,18,20H,3-8,10H2.
What are the key properties of [1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol?
[1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol has a molecular weight of 268.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)cyclopropyl]methanol is sourced from PubChem (CID 116996119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).