(1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol

C15H19FN2O3 — CID 11323858

IUPAC(1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC[C@@]2(c3cc([N+](=O)[O-])ccc3F)CCC[C@@H]1[C@@H]2O
InChIInChI=1S/C15H19FN2O3/c1-17-8-7-15(6-2-3-13(17)14(15)19)11-9-10(18(20)21)4-5-12(11)16/h4-5,9,13-14,19H,2-3,6-8H2,1H3/t13-,14+,15-/m1/s1
InChIKeyCTDAGCNNTAKIBS-QLFBSQMISA-N
MW294.33 g/mol
LogP2.22
Rot. Bonds2

About (1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol

(1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 11323858) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is (1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol
PubChem CID11323858
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name(1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC[C@@]2(c3cc([N+](=O)[O-])ccc3F)CCC[C@@H]1[C@@H]2O
InChIInChI=1S/C15H19FN2O3/c1-17-8-7-15(6-2-3-13(17)14(15)19)11-9-10(18(20)21)4-5-12(11)16/h4-5,9,13-14,19H,2-3,6-8H2,1H3/t13-,14+,15-/m1/s1
InChIKeyCTDAGCNNTAKIBS-QLFBSQMISA-N
XLogP2.22
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol with MolForge

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Related Compounds

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CID 83412153
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CID 150526681
(8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine
CID 118190065
1-methyl-4,12-dinitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene
CID 15206041
4-(2-fluoro-5-nitrophenyl)-1H-pyrimidine-4,5-diamine
CID 154688855
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CID 107404180
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CID 142228274
N-(2-fluoro-5-nitrophenyl)cyclopropanecarboxamide
CID 675675
[(4aR,7aS)-7a-(2-fluoro-5-nitrophenyl)-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-2-yl]-tert-butylcarbamic acid
CID 67279316
3-amino-4a-(2-fluoro-5-nitrophenyl)-2-methyl-1,1-dioxo-7,7a-dihydro-5H-cyclopenta[e][1,2,4]thiadiazin-6-one
CID 129202135
1-(2-fluoro-5-nitrophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680583
(4S)-4-(2-fluoro-5-nitrophenyl)-4-methyl-6-propan-2-ylidene-5H-1,3-thiazin-2-amine
CID 58376988

Frequently Asked Questions

What is the IUPAC name of (1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol (CID 11323858) is (1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol is CN1CC[C@@]2(c3cc([N+](=O)[O-])ccc3F)CCC[C@@H]1[C@@H]2O.
What is the InChIKey of (1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is CTDAGCNNTAKIBS-QLFBSQMISA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-17-8-7-15(6-2-3-13(17)14(15)19)11-9-10(18(20)21)4-5-12(11)16/h4-5,9,13-14,19H,2-3,6-8H2,1H3/t13-,14+,15-/m1/s1.
What are the key properties of (1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol?
(1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 294.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,9R)-5-(2-fluoro-5-nitrophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 11323858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).