cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide

C19H18N2O2 — CID 40530433

IUPACcis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-18(12-11-14-7-3-1-4-8-14)20-21-19(23)17-13-16(17)15-9-5-2-6-10-15/h1-12,16-17H,13H2,(H,20,22)(H,21,23)/b12-11+/t16-,17-/m0/s1
InChIKeyRKPPRFRVLMQMAL-YFXCHKOLSA-N
MW306.37 g/mol
LogP2.65
Rot. Bonds4

About cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide

cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide (PubChem CID 40530433) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Namecis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
PubChem CID40530433
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Namecis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
SMILESO=C(/C=C/c1ccccc1)NNC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-18(12-11-14-7-3-1-4-8-14)20-21-19(23)17-13-16(17)15-9-5-2-6-10-15/h1-12,16-17H,13H2,(H,20,22)(H,21,23)/b12-11+/t16-,17-/m0/s1
InChIKeyRKPPRFRVLMQMAL-YFXCHKOLSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide
CID 6557039
4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
CID 7430948
cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
CID 129439751
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
(E)-3-(1,3-benzodioxol-5-yl)-N-[[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]carbamothioyl]prop-2-enamide
CID 2034514
(1R)-2,2-dibromo-1-methyl-N'-[(1S,2S)-2-phenylcyclopropanecarbonyl]cyclopropane-1-carbohydrazide
CID 11899326
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
cis-(1S,2R)-2-phenyl-N'-(3-phenylpropanoyl)cyclopropane-1-carbohydrazide
CID 787540
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
4-oxo-4-[2-[(1R,2R)-2-phenylcyclopropanecarbonyl]hydrazinyl]butanoate
CID 2255960
cis-(1S,2R)-N'-octanoyl-2-phenylcyclopropane-1-carbohydrazide
CID 2218274

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide?
The IUPAC name of cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide (CID 40530433) is cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide is O=C(/C=C/c1ccccc1)NNC(=O)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide?
The InChIKey is RKPPRFRVLMQMAL-YFXCHKOLSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18(12-11-14-7-3-1-4-8-14)20-21-19(23)17-13-16(17)15-9-5-2-6-10-15/h1-12,16-17H,13H2,(H,20,22)(H,21,23)/b12-11+/t16-,17-/m0/s1.
What are the key properties of cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide?
cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide has a molecular weight of 306.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 40530433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).