(1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide

C22H32N2O2 — CID 99639953

IUPAC(1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
SMILESC=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)NNC(=O)[C@]13CC[C@@H](C1)C(C)(C)C3=C)C2
InChIInChI=1S/C22H32N2O2/c1-13-19(3,4)15-7-9-21(13,11-15)17(25)23-24-18(26)22-10-8-16(12-22)20(5,6)14(22)2/h15-16H,1-2,7-12H2,3-6H3,(H,23,25)(H,24,26)/t15-,16+,21+,22-
InChIKeyHFZJKRKZPFNURH-WGKKAQPQSA-N
MW356.51 g/mol
LogP3.90
Rot. Bonds2

About (1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide

(1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide (PubChem CID 99639953) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide.

Molecular Properties

Compound Name(1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
PubChem CID99639953
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name(1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide
SMILESC=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)NNC(=O)[C@]13CC[C@@H](C1)C(C)(C)C3=C)C2
InChIInChI=1S/C22H32N2O2/c1-13-19(3,4)15-7-9-21(13,11-15)17(25)23-24-18(26)22-10-8-16(12-22)20(5,6)14(22)2/h15-16H,1-2,7-12H2,3-6H3,(H,23,25)(H,24,26)/t15-,16+,21+,22-
InChIKeyHFZJKRKZPFNURH-WGKKAQPQSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The IUPAC name of (1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide (CID 99639953) is (1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide.
What is the SMILES notation for (1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The canonical SMILES for (1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide is C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)NNC(=O)[C@]13CC[C@@H](C1)C(C)(C)C3=C)C2.
What is the InChIKey of (1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
The InChIKey is HFZJKRKZPFNURH-WGKKAQPQSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-13-19(3,4)15-7-9-21(13,11-15)17(25)23-24-18(26)22-10-8-16(12-22)20(5,6)14(22)2/h15-16H,1-2,7-12H2,3-6H3,(H,23,25)(H,24,26)/t15-,16+,21+,22-.
What are the key properties of (1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide?
(1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide has a molecular weight of 356.51 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-N'-[(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbohydrazide is sourced from PubChem (CID 99639953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).