(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol

C9H14O — CID 15761090

IUPAC(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol
SMILESO[C@H]1[C@H]2CC[C@H](C2)C12CC2
InChIInChI=1S/C9H14O/c10-8-6-1-2-7(5-6)9(8)3-4-9/h6-8,10H,1-5H2/t6-,7+,8-/m0/s1
InChIKeyKGALEZGLGBECEK-RNJXMRFFSA-N
MW138.21 g/mol
LogP1.56
Rot. Bonds

About (1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol

(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol (PubChem CID 15761090) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol.

Molecular Properties

Compound Name(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol
PubChem CID15761090
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol
SMILESO[C@H]1[C@H]2CC[C@H](C2)C12CC2
InChIInChI=1S/C9H14O/c10-8-6-1-2-7(5-6)9(8)3-4-9/h6-8,10H,1-5H2/t6-,7+,8-/m0/s1
InChIKeyKGALEZGLGBECEK-RNJXMRFFSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol?
The IUPAC name of (1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol (CID 15761090) is (1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol.
What is the SMILES notation for (1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol?
The canonical SMILES for (1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol is O[C@H]1[C@H]2CC[C@H](C2)C12CC2.
What is the InChIKey of (1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol?
The InChIKey is KGALEZGLGBECEK-RNJXMRFFSA-N. The full InChI is InChI=1S/C9H14O/c10-8-6-1-2-7(5-6)9(8)3-4-9/h6-8,10H,1-5H2/t6-,7+,8-/m0/s1.
What are the key properties of (1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol?
(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol has a molecular weight of 138.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-ol is sourced from PubChem (CID 15761090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).