(1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide

C11H18N2O3 — CID 98362742

IUPAC(1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
SMILESCC1(C)[C@]2(C(=O)NN)CC[C@]1(C)C(=O)[C@@H]2O
InChIInChI=1S/C11H18N2O3/c1-9(2)10(3)4-5-11(9,8(16)13-12)7(15)6(10)14/h7,15H,4-5,12H2,1-3H3,(H,13,16)/t7-,10+,11+/m0/s1
InChIKeyOGZXDCUCOMZMJZ-WHGOUJPWSA-N
MW226.28 g/mol
LogP-0.27
Rot. Bonds1

About (1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide

(1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide (PubChem CID 98362742) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide.

Molecular Properties

Compound Name(1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
PubChem CID98362742
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide
SMILESCC1(C)[C@]2(C(=O)NN)CC[C@]1(C)C(=O)[C@@H]2O
InChIInChI=1S/C11H18N2O3/c1-9(2)10(3)4-5-11(9,8(16)13-12)7(15)6(10)14/h7,15H,4-5,12H2,1-3H3,(H,13,16)/t7-,10+,11+/m0/s1
InChIKeyOGZXDCUCOMZMJZ-WHGOUJPWSA-N
XLogP-0.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
The IUPAC name of (1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide (CID 98362742) is (1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide.
What is the SMILES notation for (1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
The canonical SMILES for (1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide is CC1(C)[C@]2(C(=O)NN)CC[C@]1(C)C(=O)[C@@H]2O.
What is the InChIKey of (1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
The InChIKey is OGZXDCUCOMZMJZ-WHGOUJPWSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-9(2)10(3)4-5-11(9,8(16)13-12)7(15)6(10)14/h7,15H,4-5,12H2,1-3H3,(H,13,16)/t7-,10+,11+/m0/s1.
What are the key properties of (1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide?
(1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide has a molecular weight of 226.28 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-hydroxy-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbohydrazide is sourced from PubChem (CID 98362742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).