(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one

C14H17NO2 — CID 98116144

IUPAC(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCOc1ccc(N2[C@@H]3CC[C@@H]2CC(=O)C3)cc1
InChIInChI=1S/C14H17NO2/c1-17-14-6-4-10(5-7-14)15-11-2-3-12(15)9-13(16)8-11/h4-7,11-12H,2-3,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyOWKLQIXASBHXKC-VXGBXAGGSA-N
MW231.30 g/mol
LogP2.40
Rot. Bonds2

About (1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one

(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 98116144) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID98116144
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCOc1ccc(N2[C@@H]3CC[C@@H]2CC(=O)C3)cc1
InChIInChI=1S/C14H17NO2/c1-17-14-6-4-10(5-7-14)15-11-2-3-12(15)9-13(16)8-11/h4-7,11-12H,2-3,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyOWKLQIXASBHXKC-VXGBXAGGSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-(4-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 55106421
8-(2-chloro-5-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738406
8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 81267160
3-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-5-one
CID 84612634
2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-3-one
CID 54072038
9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712505
(1S,3R,4S)-3-(4-methoxyphenyl)-2-phenyl-2-azabicyclo[2.2.2]octan-5-one
CID 102491604
9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 134795364
8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62741010
12-(4-methoxyphenyl)-4,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
CID 168862821
(1S,5S)-6-(4-methoxyphenyl)-2,6-diazabicyclo[3.2.2]nonan-3-one
CID 68996228
1-cyclopropyl-3-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 60836616

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one (CID 98116144) is (1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one is COc1ccc(N2[C@@H]3CC[C@@H]2CC(=O)C3)cc1.
What is the InChIKey of (1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is OWKLQIXASBHXKC-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-14-6-4-10(5-7-14)15-11-2-3-12(15)9-13(16)8-11/h4-7,11-12H,2-3,8-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of (1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one?
(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 231.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 98116144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).