1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol

C17H20N2O — CID 117424791

IUPAC1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2cccc3c4c([nH]c23)N2CCC4CC2)CC1
InChIInChI=1S/C17H20N2O/c20-17(6-7-17)10-12-2-1-3-13-14-11-4-8-19(9-5-11)16(14)18-15(12)13/h1-3,11,18,20H,4-10H2
InChIKeyGZMMOPQCYIKKFI-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.93
Rot. Bonds2

About 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol

1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol (PubChem CID 117424791) 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),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol
PubChem CID117424791
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2cccc3c4c([nH]c23)N2CCC4CC2)CC1
InChIInChI=1S/C17H20N2O/c20-17(6-7-17)10-12-2-1-3-13-14-11-4-8-19(9-5-11)16(14)18-15(12)13/h1-3,11,18,20H,4-10H2
InChIKeyGZMMOPQCYIKKFI-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile
CID 117347244
3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)propan-1-amine
CID 117391793
O-[2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)ethyl]hydroxylamine
CID 117396834
1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)cyclobutan-1-amine
CID 117422207
2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-2-oxoacetic acid
CID 117428851
3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-3-methylbutanoic acid
CID 117480955
3-amino-2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)propanoic acid
CID 117459668
5-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-7-yl)-1H-pyrazol-3-amine
CID 117448028
1-[[2-(1-methylpiperidin-4-yl)phenyl]methyl]cyclopropan-1-ol
CID 117365849
9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine
CID 83986251
1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol
CID 117453952
(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)methanol
CID 117274366

Frequently Asked Questions

What is the IUPAC name of 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol?
The IUPAC name of 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol (CID 117424791) is 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol?
The canonical SMILES for 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol is OC1(Cc2cccc3c4c([nH]c23)N2CCC4CC2)CC1.
What is the InChIKey of 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol?
The InChIKey is GZMMOPQCYIKKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(6-7-17)10-12-2-1-3-13-14-11-4-8-19(9-5-11)16(14)18-15(12)13/h1-3,11,18,20H,4-10H2.
What are the key properties of 1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol?
1-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 2.93, 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),3,5,7-tetraen-7-ylmethyl)cyclopropan-1-ol is sourced from PubChem (CID 117424791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).