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

C19H31NO2Si — CID 67438705

IUPAC(9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one
SMILESCC(C)[Si](O[C@H]1CCC(=O)Cc2cccnc21)(C(C)C)C(C)C
InChIInChI=1S/C19H31NO2Si/c1-13(2)23(14(3)4,15(5)6)22-18-10-9-17(21)12-16-8-7-11-20-19(16)18/h7-8,11,13-15,18H,9-10,12H2,1-6H3/t18-/m0/s1
InChIKeyCCUQXJROYWCJQG-SFHVURJKSA-N
MW333.55 g/mol
LogP5.22
Rot. Bonds5

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

(9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one (PubChem CID 67438705) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is (9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one.

Molecular Properties

Compound Name(9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one
PubChem CID67438705
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC Name(9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one
SMILESCC(C)[Si](O[C@H]1CCC(=O)Cc2cccnc21)(C(C)C)C(C)C
InChIInChI=1S/C19H31NO2Si/c1-13(2)23(14(3)4,15(5)6)22-18-10-9-17(21)12-16-8-7-11-20-19(16)18/h7-8,11,13-15,18H,9-10,12H2,1-6H3/t18-/m0/s1
InChIKeyCCUQXJROYWCJQG-SFHVURJKSA-N
XLogP5.22
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 ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

(6R,9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol
CID 139095082
8-propan-2-yl-7,8-dihydro-5H-quinolin-6-one
CID 160543917
7-propan-2-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 146551698
9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-5-carbaldehyde
CID 175403309
phenylboronic acid;(6-phenyl-8,9-dihydro-7H-cyclohepta[b]pyridin-9-yl)oxy-tri(propan-2-yl)silane
CID 159219398
(5S,6S,9R)-6-(2,3-difluorophenyl)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine
CID 67115863
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
4-[3-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one
CID 174278587
2-cyclopropyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)propan-1-one
CID 115783784
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
4-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylbutan-1-one
CID 116594877
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79745794

Frequently Asked Questions

What is the IUPAC name of (9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one?
The IUPAC name of (9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one (CID 67438705) is (9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one.
What is the SMILES notation for (9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one?
The canonical SMILES for (9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one is CC(C)[Si](O[C@H]1CCC(=O)Cc2cccnc21)(C(C)C)C(C)C.
What is the InChIKey of (9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one?
The InChIKey is CCUQXJROYWCJQG-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-13(2)23(14(3)4,15(5)6)22-18-10-9-17(21)12-16-8-7-11-20-19(16)18/h7-8,11,13-15,18H,9-10,12H2,1-6H3/t18-/m0/s1.
What are the key properties of (9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one?
(9S)-9-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 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-tri(propan-2-yl)silyloxy-5,7,8,9-tetrahydrocyclohepta[b]pyridin-6-one is sourced from PubChem (CID 67438705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).