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

C10H12N2O — CID 778510

IUPACcis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H12N2O/c11-12-10(13)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,11H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyLVPLGMIOSVEITG-RKDXNWHRSA-N
MW176.22 g/mol
LogP0.78
Rot. Bonds2

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

cis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide (PubChem CID 778510) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is cis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide
PubChem CID778510
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Namecis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide
SMILESNNC(=O)[C@@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C10H12N2O/c11-12-10(13)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,11H2,(H,12,13)/t8-,9-/m1/s1
InChIKeyLVPLGMIOSVEITG-RKDXNWHRSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.78
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-phenylcyclopropane-1-carbohydrazide?
The IUPAC name of cis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide (CID 778510) is cis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide.
What is the SMILES notation for cis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide?
The canonical SMILES for cis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide is NNC(=O)[C@@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide?
The InChIKey is LVPLGMIOSVEITG-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H12N2O/c11-12-10(13)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,11H2,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of cis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide?
cis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide has a molecular weight of 176.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-phenylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 778510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).