N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide

C11H14N2O — CID 154193937

IUPACN-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide
SMILESCC(=O)N(N)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C11H14N2O/c1-8(14)13(12)11-7-10(11)9-5-3-2-4-6-9/h2-6,10-11H,7,12H2,1H3/t10-,11+/m0/s1
InChIKeyAUJQRROBJLYZSD-WDEREUQCSA-N
MW190.25 g/mol
LogP1.26
Rot. Bonds2

About N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide

N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide (PubChem CID 154193937) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide.

Molecular Properties

Compound NameN-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide
PubChem CID154193937
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide
SMILESCC(=O)N(N)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C11H14N2O/c1-8(14)13(12)11-7-10(11)9-5-3-2-4-6-9/h2-6,10-11H,7,12H2,1H3/t10-,11+/m0/s1
InChIKeyAUJQRROBJLYZSD-WDEREUQCSA-N
XLogP1.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
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 N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide?
The IUPAC name of N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide (CID 154193937) is N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide.
What is the SMILES notation for N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide?
The canonical SMILES for N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide is CC(=O)N(N)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide?
The InChIKey is AUJQRROBJLYZSD-WDEREUQCSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(14)13(12)11-7-10(11)9-5-3-2-4-6-9/h2-6,10-11H,7,12H2,1H3/t10-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide?
N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide has a molecular weight of 190.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-phenylcyclopropyl]acetohydrazide is sourced from PubChem (CID 154193937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).