[4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol

C16H19NO — CID 16736681

IUPAC[4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol
SMILESOCc1ccc(N2C[C@@H]3[C@H](C2)[C@@H]2C=C[C@H]3C2)cc1
InChIInChI=1S/C16H19NO/c18-10-11-1-5-14(6-2-11)17-8-15-12-3-4-13(7-12)16(15)9-17/h1-6,12-13,15-16,18H,7-10H2/t12-,13+,15-,16+
InChIKeyVVVIJNBBLQDQAF-SDSIWUNFSA-N
MW241.33 g/mol
LogP2.44
Rot. Bonds2

About [4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol

[4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol (PubChem CID 16736681) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is [4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol
PubChem CID16736681
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name[4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol
SMILESOCc1ccc(N2C[C@@H]3[C@H](C2)[C@@H]2C=C[C@H]3C2)cc1
InChIInChI=1S/C16H19NO/c18-10-11-1-5-14(6-2-11)17-8-15-12-3-4-13(7-12)16(15)9-17/h1-6,12-13,15-16,18H,7-10H2/t12-,13+,15-,16+
InChIKeyVVVIJNBBLQDQAF-SDSIWUNFSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol?
The IUPAC name of [4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol (CID 16736681) is [4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol?
The canonical SMILES for [4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol is OCc1ccc(N2C[C@@H]3[C@H](C2)[C@@H]2C=C[C@H]3C2)cc1.
What is the InChIKey of [4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol?
The InChIKey is VVVIJNBBLQDQAF-SDSIWUNFSA-N. The full InChI is InChI=1S/C16H19NO/c18-10-11-1-5-14(6-2-11)17-8-15-12-3-4-13(7-12)16(15)9-17/h1-6,12-13,15-16,18H,7-10H2/t12-,13+,15-,16+.
What are the key properties of [4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol?
[4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol has a molecular weight of 241.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S,2R,6S,7R)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]methanol is sourced from PubChem (CID 16736681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).