8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one

C19H25NO3 — CID 44522057

IUPAC8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one
SMILESCCCCCCc1cc(O)c2c3c(c(=O)oc2c1)CCN(C)C3
InChIInChI=1S/C19H25NO3/c1-3-4-5-6-7-13-10-16(21)18-15-12-20(2)9-8-14(15)19(22)23-17(18)11-13/h10-11,21H,3-9,12H2,1-2H3
InChIKeyTUNIBOALNQAXOO-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.61
Rot. Bonds5

About 8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one

8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one (PubChem CID 44522057) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one.

Molecular Properties

Compound Name8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one
PubChem CID44522057
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one
SMILESCCCCCCc1cc(O)c2c3c(c(=O)oc2c1)CCN(C)C3
InChIInChI=1S/C19H25NO3/c1-3-4-5-6-7-13-10-16(21)18-15-12-20(2)9-8-14(15)19(22)23-17(18)11-13/h10-11,21H,3-9,12H2,1-2H3
InChIKeyTUNIBOALNQAXOO-UHFFFAOYSA-N
XLogP3.61
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one?
The IUPAC name of 8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one (CID 44522057) is 8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one.
What is the SMILES notation for 8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one?
The canonical SMILES for 8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one is CCCCCCc1cc(O)c2c3c(c(=O)oc2c1)CCN(C)C3.
What is the InChIKey of 8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one?
The InChIKey is TUNIBOALNQAXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-4-5-6-7-13-10-16(21)18-15-12-20(2)9-8-14(15)19(22)23-17(18)11-13/h10-11,21H,3-9,12H2,1-2H3.
What are the key properties of 8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one?
8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one has a molecular weight of 315.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexyl-10-hydroxy-2-methyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-5-one is sourced from PubChem (CID 44522057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).