2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide

C19H19NO3 — CID 110014439

IUPAC2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1c2ccccc2Oc2ccccc21)C1CCCC1O
InChIInChI=1S/C19H19NO3/c21-15-9-5-8-12(15)19(22)20-18-13-6-1-3-10-16(13)23-17-11-4-2-7-14(17)18/h1-4,6-7,10-12,15,18,21H,5,8-9H2,(H,20,22)
InChIKeyWZWOTZJDJNDYGH-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.16
Rot. Bonds2

About 2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide

2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide (PubChem CID 110014439) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide
PubChem CID110014439
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1c2ccccc2Oc2ccccc21)C1CCCC1O
InChIInChI=1S/C19H19NO3/c21-15-9-5-8-12(15)19(22)20-18-13-6-1-3-10-16(13)23-17-11-4-2-7-14(17)18/h1-4,6-7,10-12,15,18,21H,5,8-9H2,(H,20,22)
InChIKeyWZWOTZJDJNDYGH-UHFFFAOYSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide (CID 110014439) is 2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide is O=C(NC1c2ccccc2Oc2ccccc21)C1CCCC1O.
What is the InChIKey of 2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide?
The InChIKey is WZWOTZJDJNDYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-15-9-5-8-12(15)19(22)20-18-13-6-1-3-10-16(13)23-17-11-4-2-7-14(17)18/h1-4,6-7,10-12,15,18,21H,5,8-9H2,(H,20,22).
What are the key properties of 2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide?
2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(9H-xanthen-9-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 110014439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).