(Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate

C15H15N2O4- — CID 11906244

IUPAC(Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate
SMILESC[C@]1(c2ccccc2)C[C@H]1C(=O)NNC(=O)/C=C\C(=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-15(10-5-3-2-4-6-10)9-11(15)14(21)17-16-12(18)7-8-13(19)20/h2-8,11H,9H2,1H3,(H,16,18)(H,17,21)(H,19,20)/p-1/b8-7-/t11-,15+/m0/s1
InChIKeyXNOVRFRGUGRHII-AANTUONFSA-M
MW287.30 g/mol
LogP-0.58
Rot. Bonds4

About (Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate

(Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate (PubChem CID 11906244) has the molecular formula C15H15N2O4- and a molecular weight of 287.30 g/mol. Its IUPAC name is (Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate.

Molecular Properties

Compound Name(Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate
PubChem CID11906244
Molecular FormulaC15H15N2O4-
Molecular Weight287.30 g/mol
Exact Mass287.10
IUPAC Name(Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate
SMILESC[C@]1(c2ccccc2)C[C@H]1C(=O)NNC(=O)/C=C\C(=O)[O-]
InChIInChI=1S/C15H16N2O4/c1-15(10-5-3-2-4-6-10)9-11(15)14(21)17-16-12(18)7-8-13(19)20/h2-8,11H,9H2,1H3,(H,16,18)(H,17,21)(H,19,20)/p-1/b8-7-/t11-,15+/m0/s1
InChIKeyXNOVRFRGUGRHII-AANTUONFSA-M
XLogP-0.58
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate with MolForge

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Related Compounds

4-[2-[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobutanoate
CID 7037658
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
cis-(1R,2S)-N-[(2,6-dihydroxyphenyl)methyl]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 136588702
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(2-hydroxy-3-methylphenyl)-[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanone
CID 139114971
trans-(1S,2S)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 137207097
cis-(1R,2S)-N-[1-(furan-2-yl)ethylideneamino]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 129360078
4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
CID 7430948
2-methyl-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 62389548
trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 102346584
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate?
The IUPAC name of (Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate (CID 11906244) is (Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate.
What is the SMILES notation for (Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate?
The canonical SMILES for (Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate is C[C@]1(c2ccccc2)C[C@H]1C(=O)NNC(=O)/C=C\C(=O)[O-].
What is the InChIKey of (Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate?
The InChIKey is XNOVRFRGUGRHII-AANTUONFSA-M. The full InChI is InChI=1S/C15H16N2O4/c1-15(10-5-3-2-4-6-10)9-11(15)14(21)17-16-12(18)7-8-13(19)20/h2-8,11H,9H2,1H3,(H,16,18)(H,17,21)(H,19,20)/p-1/b8-7-/t11-,15+/m0/s1.
What are the key properties of (Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate?
(Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate has a molecular weight of 287.30 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-[(1R,2S)-2-methyl-2-phenylcyclopropanecarbonyl]hydrazinyl]-4-oxobut-2-enoate is sourced from PubChem (CID 11906244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).