trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide

C10H12N2O — CID 778512

IUPACtrans-(1R,2R)-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+/m0/s1
InChIKeyLVPLGMIOSVEITG-DTWKUNHWSA-N
MW176.22 g/mol
LogP0.78
Rot. Bonds2

About trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide

trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide (PubChem CID 778512) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide
PubChem CID778512
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Nametrans-(1R,2R)-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+/m0/s1
InChIKeyLVPLGMIOSVEITG-DTWKUNHWSA-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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Related Compounds

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CID 7011
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4-Phenylpyrazolidine-3,5-dione
CID 600567
2-(4-Fluorophenyl)acetohydrazide
CID 3771612
2-Amino-3-phenylpropanehydrazide
CID 317720
2-Phenylpropionamide, (RS)-
CID 223465
N'-(2-phenylacetyl)cyclopentanecarbohydrazide
CID 2547922
N'-(2-methylpropanoyl)-2,2-diphenylcyclopropane-1-carbohydrazide
CID 3745673
N'-(2-phenylacetyl)octanehydrazide
CID 2166777
2-Phenylcyclopropanecarbohydrazide
CID 2826792
Hydrocinnamic acid, beta-phenyl-, hydrazide
CID 64908

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide?
The IUPAC name of trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide (CID 778512) is trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide.
What is the SMILES notation for trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide?
The canonical SMILES for trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide is NNC(=O)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide?
The InChIKey is LVPLGMIOSVEITG-DTWKUNHWSA-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+/m0/s1.
What are the key properties of trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide?
trans-(1R,2R)-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 trans-(1R,2R)-2-phenylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 778512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).