8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one

C16H16ClNO3 — CID 146487159

IUPAC8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one
SMILESO=c1cc(N2C3CCC2CC(O)C3)oc2c(Cl)cccc12
InChIInChI=1S/C16H16ClNO3/c17-13-3-1-2-12-14(20)8-15(21-16(12)13)18-9-4-5-10(18)7-11(19)6-9/h1-3,8-11,19H,4-7H2
InChIKeyRBBINMPANIHRIY-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.94
Rot. Bonds1

About 8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one

8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one (PubChem CID 146487159) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one.

Molecular Properties

Compound Name8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one
PubChem CID146487159
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one
SMILESO=c1cc(N2C3CCC2CC(O)C3)oc2c(Cl)cccc12
InChIInChI=1S/C16H16ClNO3/c17-13-3-1-2-12-14(20)8-15(21-16(12)13)18-9-4-5-10(18)7-11(19)6-9/h1-3,8-11,19H,4-7H2
InChIKeyRBBINMPANIHRIY-UHFFFAOYSA-N
XLogP2.94
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one?
The IUPAC name of 8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one (CID 146487159) is 8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one.
What is the SMILES notation for 8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one?
The canonical SMILES for 8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one is O=c1cc(N2C3CCC2CC(O)C3)oc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one?
The InChIKey is RBBINMPANIHRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-13-3-1-2-12-14(20)8-15(21-16(12)13)18-9-4-5-10(18)7-11(19)6-9/h1-3,8-11,19H,4-7H2.
What are the key properties of 8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one?
8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one has a molecular weight of 305.76 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)chromen-4-one is sourced from PubChem (CID 146487159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).