(1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C11H17NO2 — CID 99983687

IUPAC(1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NO)C2
InChIInChI=1S/C11H17NO2/c1-7-10(2,3)8-4-5-11(7,6-8)9(13)12-14/h8,14H,1,4-6H2,2-3H3,(H,12,13)/t8-,11+/m0/s1
InChIKeyIHDMZSBVTUDDQH-GZMMTYOYSA-N
MW195.26 g/mol
LogP1.87
Rot. Bonds1

About (1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

(1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 99983687) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID99983687
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NO)C2
InChIInChI=1S/C11H17NO2/c1-7-10(2,3)8-4-5-11(7,6-8)9(13)12-14/h8,14H,1,4-6H2,2-3H3,(H,12,13)/t8-,11+/m0/s1
InChIKeyIHDMZSBVTUDDQH-GZMMTYOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 99983687) is (1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NO)C2.
What is the InChIKey of (1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is IHDMZSBVTUDDQH-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-10(2,3)8-4-5-11(7,6-8)9(13)12-14/h8,14H,1,4-6H2,2-3H3,(H,12,13)/t8-,11+/m0/s1.
What are the key properties of (1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
(1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N-hydroxy-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 99983687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).