(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide

C8H13N3O — CID 11205990

IUPAC(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide
SMILESNNC(=O)[C@H]1[C@@H](N)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H13N3O/c9-7-5-2-1-4(3-5)6(7)8(12)11-10/h1-2,4-7H,3,9-10H2,(H,11,12)/t4-,5+,6+,7-/m0/s1
InChIKeyHBWMPDZLTHFHPQ-WNJXEPBRSA-N
MW167.21 g/mol
LogP-0.87
Rot. Bonds1

About (1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide

(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide (PubChem CID 11205990) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide.

Molecular Properties

Compound Name(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide
PubChem CID11205990
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide
SMILESNNC(=O)[C@H]1[C@@H](N)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C8H13N3O/c9-7-5-2-1-4(3-5)6(7)8(12)11-10/h1-2,4-7H,3,9-10H2,(H,11,12)/t4-,5+,6+,7-/m0/s1
InChIKeyHBWMPDZLTHFHPQ-WNJXEPBRSA-N
XLogP-0.87
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (1R,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 99719050
methyl (1S,2R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 99726549
ethyl (1R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 46835766
ethyl (2R,3S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 13396162
ethyl (1S,2R,3S,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11886809
ethyl (1R,2R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 86327414
(2S,3R)-3-amino-N-prop-2-ynylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 166441037
(1S,2S,3R,4R)-3-amino-N-benzylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 130757036
dimethyl (1S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 11020143
dimethyl (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 98044884
dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate;methane
CID 159731557
methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate
CID 89197309

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide?
The IUPAC name of (1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide (CID 11205990) is (1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide.
What is the SMILES notation for (1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide?
The canonical SMILES for (1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide is NNC(=O)[C@H]1[C@@H](N)[C@@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide?
The InChIKey is HBWMPDZLTHFHPQ-WNJXEPBRSA-N. The full InChI is InChI=1S/C8H13N3O/c9-7-5-2-1-4(3-5)6(7)8(12)11-10/h1-2,4-7H,3,9-10H2,(H,11,12)/t4-,5+,6+,7-/m0/s1.
What are the key properties of (1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide?
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide has a molecular weight of 167.21 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide is sourced from PubChem (CID 11205990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).