trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide

C15H17BrN2O2 — CID 11899310

IUPACtrans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
SMILESC[C@@]1(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1Br
InChIInChI=1S/C15H17BrN2O2/c1-15(8-12(15)16)14(20)18-17-13(19)11-7-10(11)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,17,19)(H,18,20)/t10-,11-,12+,15-/m1/s1
InChIKeyBSCJTUQIAQJPDB-MCYUEQNJSA-N
MW337.22 g/mol
LogP2.11
Rot. Bonds3

About trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide

trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide (PubChem CID 11899310) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
PubChem CID11899310
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Nametrans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
SMILESC[C@@]1(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1Br
InChIInChI=1S/C15H17BrN2O2/c1-15(8-12(15)16)14(20)18-17-13(19)11-7-10(11)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,17,19)(H,18,20)/t10-,11-,12+,15-/m1/s1
InChIKeyBSCJTUQIAQJPDB-MCYUEQNJSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.11
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-(1R,2S)-2-bromo-1-methyl-N'-[(1R,2R)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 7353658
(1R)-2,2-dibromo-1-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 11899326
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
CID 7430948
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
N-(1-adamantyl)-2-phenylcyclopropane-1-carboxamide
CID 3328396
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1S,2R)-2-phenyl-N'-(3-phenylpropanoyl)cyclopropane-1-carbohydrazide
CID 787540
cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
CID 40530433
4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate
CID 2255960
cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide
CID 2218274
3-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 8022943

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide?
The IUPAC name of trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide (CID 11899310) is trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide is C[C@@]1(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)C[C@@H]1Br.
What is the InChIKey of trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide?
The InChIKey is BSCJTUQIAQJPDB-MCYUEQNJSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-15(8-12(15)16)14(20)18-17-13(19)11-7-10(11)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,17,19)(H,18,20)/t10-,11-,12+,15-/m1/s1.
What are the key properties of trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide?
trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide has a molecular weight of 337.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-bromo-1-methyl-N'-[(1R,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 11899310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).