[(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol

C9H17NO — CID 10654464

IUPAC[(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESCCN1[C@H]2CC[C@H](C2)[C@@H]1CO
InChIInChI=1S/C9H17NO/c1-2-10-8-4-3-7(5-8)9(10)6-11/h7-9,11H,2-6H2,1H3/t7-,8+,9+/m1/s1
InChIKeyZBOBJYWHGNGTGT-VGMNWLOBSA-N
MW155.24 g/mol
LogP0.85
Rot. Bonds2

About [(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol

[(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol (PubChem CID 10654464) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol.

Molecular Properties

Compound Name[(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
PubChem CID10654464
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol
SMILESCCN1[C@H]2CC[C@H](C2)[C@@H]1CO
InChIInChI=1S/C9H17NO/c1-2-10-8-4-3-7(5-8)9(10)6-11/h7-9,11H,2-6H2,1H3/t7-,8+,9+/m1/s1
InChIKeyZBOBJYWHGNGTGT-VGMNWLOBSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The IUPAC name of [(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol (CID 10654464) is [(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol.
What is the SMILES notation for [(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The canonical SMILES for [(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol is CCN1[C@H]2CC[C@H](C2)[C@@H]1CO.
What is the InChIKey of [(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
The InChIKey is ZBOBJYWHGNGTGT-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-10-8-4-3-7(5-8)9(10)6-11/h7-9,11H,2-6H2,1H3/t7-,8+,9+/m1/s1.
What are the key properties of [(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol?
[(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-2-ethyl-2-azabicyclo[2.2.1]heptan-3-yl]methanol is sourced from PubChem (CID 10654464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).