4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one

C19H31NO2Si — CID 67117054

IUPAC4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one
SMILESCC(C)[Si](Oc1ccnc2c1CC(=O)CCC2)(C(C)C)C(C)C
InChIInChI=1S/C19H31NO2Si/c1-13(2)23(14(3)4,15(5)6)22-19-10-11-20-18-9-7-8-16(21)12-17(18)19/h10-11,13-15H,7-9,12H2,1-6H3
InChIKeyYWKOPMSYVMUDKW-UHFFFAOYSA-N
MW333.55 g/mol
LogP5.08
Rot. Bonds5

About 4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one

4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one (PubChem CID 67117054) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is 4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one.

Molecular Properties

Compound Name4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one
PubChem CID67117054
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC Name4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one
SMILESCC(C)[Si](Oc1ccnc2c1CC(=O)CCC2)(C(C)C)C(C)C
InChIInChI=1S/C19H31NO2Si/c1-13(2)23(14(3)4,15(5)6)22-19-10-11-20-18-9-7-8-16(21)12-17(18)19/h10-11,13-15H,7-9,12H2,1-6H3
InChIKeyYWKOPMSYVMUDKW-UHFFFAOYSA-N
XLogP5.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.55
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one?
The IUPAC name of 4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one (CID 67117054) is 4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one.
What is the SMILES notation for 4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one?
The canonical SMILES for 4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one is CC(C)[Si](Oc1ccnc2c1CC(=O)CCC2)(C(C)C)C(C)C.
What is the InChIKey of 4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one?
The InChIKey is YWKOPMSYVMUDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-13(2)23(14(3)4,15(5)6)22-19-10-11-20-18-9-7-8-16(21)12-17(18)19/h10-11,13-15H,7-9,12H2,1-6H3.
What are the key properties of 4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one?
4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one has a molecular weight of 333.55 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one is sourced from PubChem (CID 67117054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).