(1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide

C10H17NO2 — CID 55277258

IUPAC(1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C(N)=O)C(O)C2
InChIInChI=1S/C10H17NO2/c1-9(2)6-3-4-10(9,8(11)13)7(12)5-6/h6-7,12H,3-5H2,1-2H3,(H2,11,13)/t6-,7?,10+/m1/s1
InChIKeyBPXZOEXYQTWEOX-PYZQLQBXSA-N
MW183.25 g/mol
LogP0.66
Rot. Bonds1

About (1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide

(1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 55277258) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID55277258
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@@H]2CC[C@@]1(C(N)=O)C(O)C2
InChIInChI=1S/C10H17NO2/c1-9(2)6-3-4-10(9,8(11)13)7(12)5-6/h6-7,12H,3-5H2,1-2H3,(H2,11,13)/t6-,7?,10+/m1/s1
InChIKeyBPXZOEXYQTWEOX-PYZQLQBXSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide (CID 55277258) is (1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide is CC1(C)[C@@H]2CC[C@@]1(C(N)=O)C(O)C2.
What is the InChIKey of (1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is BPXZOEXYQTWEOX-PYZQLQBXSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2)6-3-4-10(9,8(11)13)7(12)5-6/h6-7,12H,3-5H2,1-2H3,(H2,11,13)/t6-,7?,10+/m1/s1.
What are the key properties of (1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide?
(1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 55277258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).