(6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol

C9H13NO — CID 163876540

IUPAC(6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol
SMILESNC1(O)CC2C1C1C=C[C@H]2C1
InChIInChI=1S/C9H13NO/c10-9(11)4-7-5-1-2-6(3-5)8(7)9/h1-2,5-8,11H,3-4,10H2/t5-,6?,7?,8?,9?/m0/s1
InChIKeyPPJMXOUZVBXJEU-OQOOARCMSA-N
MW151.21 g/mol
LogP0.48
Rot. Bonds

About (6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol

(6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol (PubChem CID 163876540) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol.

Molecular Properties

Compound Name(6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol
PubChem CID163876540
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol
SMILESNC1(O)CC2C1C1C=C[C@H]2C1
InChIInChI=1S/C9H13NO/c10-9(11)4-7-5-1-2-6(3-5)8(7)9/h1-2,5-8,11H,3-4,10H2/t5-,6?,7?,8?,9?/m0/s1
InChIKeyPPJMXOUZVBXJEU-OQOOARCMSA-N
XLogP0.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trimethyl-(3-trimethylsilyl-3-tricyclo[4.2.1.02,5]non-7-enyl)silane
CID 91696532
4-fluoro-3,4-dimethyltricyclo[4.2.1.02,5]non-7-en-3-ol
CID 91328943
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene
CID 58957734
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
2-aminobicyclo[2.2.1]hept-5-en-2-ol
CID 89311191
4,4-difluoro-3-methyltricyclo[4.2.1.02,5]non-7-ene-3-carboxylic acid
CID 71053098
CID 20789484
CID 20789484
bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene
CID 157423842
tricyclo[5.2.1.02,6]dec-8-en-4-one
CID 548712

Frequently Asked Questions

What is the IUPAC name of (6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol?
The IUPAC name of (6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol (CID 163876540) is (6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol.
What is the SMILES notation for (6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol?
The canonical SMILES for (6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol is NC1(O)CC2C1C1C=C[C@H]2C1.
What is the InChIKey of (6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol?
The InChIKey is PPJMXOUZVBXJEU-OQOOARCMSA-N. The full InChI is InChI=1S/C9H13NO/c10-9(11)4-7-5-1-2-6(3-5)8(7)9/h1-2,5-8,11H,3-4,10H2/t5-,6?,7?,8?,9?/m0/s1.
What are the key properties of (6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol?
(6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol has a molecular weight of 151.21 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-aminotricyclo[4.2.1.02,5]non-7-en-3-ol is sourced from PubChem (CID 163876540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).