cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide

C12H13ClN2O2 — CID 689551

IUPACcis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
SMILESO=C(CCl)NNC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C12H13ClN2O2/c13-7-11(16)14-15-12(17)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,16)(H,15,17)/t9-,10-/m0/s1
InChIKeyMDZKSIJGAAFPGQ-UWVGGRQHSA-N
MW252.70 g/mol
LogP1.18
Rot. Bonds3

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

cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide (PubChem CID 689551) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
PubChem CID689551
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Namecis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
SMILESO=C(CCl)NNC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C12H13ClN2O2/c13-7-11(16)14-15-12(17)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,16)(H,15,17)/t9-,10-/m0/s1
InChIKeyMDZKSIJGAAFPGQ-UWVGGRQHSA-N
XLogP1.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-2-phenyl-N'-(3-phenylpropanoyl)cyclopropane-1-carbohydrazide
CID 787540
4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate
CID 2255960
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide
CID 2218274
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
CID 7430948
(1R)-2,2-dibromo-1-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 11899326
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-bromo-1-methyl-N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 7353658
trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 11899310
cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
CID 40530433
N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]thiophene-2-carbohydrazide
CID 691734

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide?
The IUPAC name of cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide (CID 689551) is cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide.
What is the SMILES notation for cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide?
The canonical SMILES for cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide is O=C(CCl)NNC(=O)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide?
The InChIKey is MDZKSIJGAAFPGQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-7-11(16)14-15-12(17)10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,16)(H,15,17)/t9-,10-/m0/s1.
What are the key properties of cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide?
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide has a molecular weight of 252.70 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 689551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).