cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide

C6H12N2O — CID 139509215

IUPACcis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide
SMILESC[C@H]1CC[C@H]1C(=O)NN
InChIInChI=1S/C6H12N2O/c1-4-2-3-5(4)6(9)8-7/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5+/m0/s1
InChIKeyXRQIPCKCUVTJLQ-CRCLSJGQSA-N
MW128.18 g/mol
LogP0.02
Rot. Bonds1

About cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide

cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide (PubChem CID 139509215) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide
PubChem CID139509215
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Namecis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide
SMILESC[C@H]1CC[C@H]1C(=O)NN
InChIInChI=1S/C6H12N2O/c1-4-2-3-5(4)6(9)8-7/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5+/m0/s1
InChIKeyXRQIPCKCUVTJLQ-CRCLSJGQSA-N
XLogP0.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide?
The IUPAC name of cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide (CID 139509215) is cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide.
What is the SMILES notation for cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide?
The canonical SMILES for cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide is C[C@H]1CC[C@H]1C(=O)NN.
What is the InChIKey of cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide?
The InChIKey is XRQIPCKCUVTJLQ-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-2-3-5(4)6(9)8-7/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide?
cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide has a molecular weight of 128.18 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methylcyclobutane-1-carbohydrazide is sourced from PubChem (CID 139509215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).