10-(oxiran-2-ylmethyl)acridin-9-one

C16H13NO2 — CID 10060703

IUPAC10-(oxiran-2-ylmethyl)acridin-9-one
SMILESO=c1c2ccccc2n(CC2CO2)c2ccccc12
InChIInChI=1S/C16H13NO2/c18-16-12-5-1-3-7-14(12)17(9-11-10-19-11)15-8-4-2-6-13(15)16/h1-8,11H,9-10H2
InChIKeyKRMZERAQRFRQKQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.55
Rot. Bonds2

About 10-(oxiran-2-ylmethyl)acridin-9-one

10-(oxiran-2-ylmethyl)acridin-9-one (PubChem CID 10060703) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 10-(oxiran-2-ylmethyl)acridin-9-one.

Molecular Properties

Compound Name10-(oxiran-2-ylmethyl)acridin-9-one
PubChem CID10060703
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name10-(oxiran-2-ylmethyl)acridin-9-one
SMILESO=c1c2ccccc2n(CC2CO2)c2ccccc12
InChIInChI=1S/C16H13NO2/c18-16-12-5-1-3-7-14(12)17(9-11-10-19-11)15-8-4-2-6-13(15)16/h1-8,11H,9-10H2
InChIKeyKRMZERAQRFRQKQ-UHFFFAOYSA-N
XLogP2.55
TPSA34.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(oxiran-2-ylmethyl)acridin-9-one?
The IUPAC name of 10-(oxiran-2-ylmethyl)acridin-9-one (CID 10060703) is 10-(oxiran-2-ylmethyl)acridin-9-one.
What is the SMILES notation for 10-(oxiran-2-ylmethyl)acridin-9-one?
The canonical SMILES for 10-(oxiran-2-ylmethyl)acridin-9-one is O=c1c2ccccc2n(CC2CO2)c2ccccc12.
What is the InChIKey of 10-(oxiran-2-ylmethyl)acridin-9-one?
The InChIKey is KRMZERAQRFRQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-12-5-1-3-7-14(12)17(9-11-10-19-11)15-8-4-2-6-13(15)16/h1-8,11H,9-10H2.
What are the key properties of 10-(oxiran-2-ylmethyl)acridin-9-one?
10-(oxiran-2-ylmethyl)acridin-9-one has a molecular weight of 251.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(oxiran-2-ylmethyl)acridin-9-one is sourced from PubChem (CID 10060703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).