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

C10H16O — CID 11499250

IUPAC[(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol
SMILESOC[C@H]1[C@H]2CC[C@H](C2)C12CC2
InChIInChI=1S/C10H16O/c11-6-9-7-1-2-8(5-7)10(9)3-4-10/h7-9,11H,1-6H2/t7-,8+,9-/m0/s1
InChIKeyNMSHJTFDMHGLLC-YIZRAAEISA-N
MW152.24 g/mol
LogP1.80
Rot. Bonds1

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

[(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol (PubChem CID 11499250) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is [(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol
PubChem CID11499250
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name[(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol
SMILESOC[C@H]1[C@H]2CC[C@H](C2)C12CC2
InChIInChI=1S/C10H16O/c11-6-9-7-1-2-8(5-7)10(9)3-4-10/h7-9,11H,1-6H2/t7-,8+,9-/m0/s1
InChIKeyNMSHJTFDMHGLLC-YIZRAAEISA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.80
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-yl]methanol?
The IUPAC name of [(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol (CID 11499250) is [(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol.
What is the SMILES notation for [(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol?
The canonical SMILES for [(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol is OC[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-yl]methanol?
The InChIKey is NMSHJTFDMHGLLC-YIZRAAEISA-N. The full InChI is InChI=1S/C10H16O/c11-6-9-7-1-2-8(5-7)10(9)3-4-10/h7-9,11H,1-6H2/t7-,8+,9-/m0/s1.
What are the key properties of [(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol?
[(1S,2S,4R)-spiro[bicyclo[2.2.1]heptane-3,1'-cyclopropane]-2-yl]methanol has a molecular weight of 152.24 g/mol, XLogP of 1.80, 1 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-yl]methanol is sourced from PubChem (CID 11499250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).