9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

C19H17NO3 — CID 43859596

IUPAC9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESO=C1C2C3CC4C(OC(C42)N1c1cccc2ccccc12)C3O
InChIInChI=1S/C19H17NO3/c21-16-11-8-12-15-14(11)18(22)20(19(15)23-17(12)16)13-7-3-5-9-4-1-2-6-10(9)13/h1-7,11-12,14-17,19,21H,8H2
InChIKeyRLZWUKKYFGCXQM-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.15
Rot. Bonds1

About 9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859596) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859596
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESO=C1C2C3CC4C(OC(C42)N1c1cccc2ccccc12)C3O
InChIInChI=1S/C19H17NO3/c21-16-11-8-12-15-14(11)18(22)20(19(15)23-17(12)16)13-7-3-5-9-4-1-2-6-10(9)13/h1-7,11-12,14-17,19,21H,8H2
InChIKeyRLZWUKKYFGCXQM-UHFFFAOYSA-N
XLogP2.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859596) is 9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is O=C1C2C3CC4C(OC(C42)N1c1cccc2ccccc12)C3O.
What is the InChIKey of 9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is RLZWUKKYFGCXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-16-11-8-12-15-14(11)18(22)20(19(15)23-17(12)16)13-7-3-5-9-4-1-2-6-10(9)13/h1-7,11-12,14-17,19,21H,8H2.
What are the key properties of 9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 307.35 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5-naphthalen-1-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).