ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate

C16H20N2O3 — CID 40524833

IUPACethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N\NC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-3-21-15(19)9-11(2)17-18-16(20)14-10-13(14)12-7-5-4-6-8-12/h4-8,13-14H,3,9-10H2,1-2H3,(H,18,20)/b17-11-/t13-,14-/m0/s1
InChIKeyICULRNROKKFCHD-KWTCJJERSA-N
MW288.35 g/mol
LogP2.24
Rot. Bonds6

About ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate

ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate (PubChem CID 40524833) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate
PubChem CID40524833
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N\NC(=O)[C@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-3-21-15(19)9-11(2)17-18-16(20)14-10-13(14)12-7-5-4-6-8-12/h4-8,13-14H,3,9-10H2,1-2H3,(H,18,20)/b17-11-/t13-,14-/m0/s1
InChIKeyICULRNROKKFCHD-KWTCJJERSA-N
XLogP2.24
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(hexan-2-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 5069125
cis-(1S,2R)-N-(pentan-3-ylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 840675
trans-(1S,2S)-N-[(E)-1-cyclopropylethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7203116
cis-(1S,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 129360074
trans-(1R,2R)-2-phenyl-N-(1-phenylpropylideneamino)cyclopropane-1-carboxamide
CID 904155
2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 3097435
cis-(1R,2S)-2-phenyl-N-(1-phenylethylideneamino)cyclopropane-1-carboxamide
CID 129439028
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863
trans-(1S,2S)-2-phenyl-N-(1-phenylbutylideneamino)cyclopropane-1-carboxamide
CID 7224859
cis-(1R,2S)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40555202
trans-(1S,2S)-N-[(Z)-1-(2-hydroxyphenyl)propylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135920731
cis-(1R,2S)-2-phenyl-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]cyclopropane-1-carboxamide
CID 129439751

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate?
The IUPAC name of ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate (CID 40524833) is ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate.
What is the SMILES notation for ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate?
The canonical SMILES for ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate is CCOC(=O)C/C(C)=N\NC(=O)[C@H]1C[C@H]1c1ccccc1.
What is the InChIKey of ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate?
The InChIKey is ICULRNROKKFCHD-KWTCJJERSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-21-15(19)9-11(2)17-18-16(20)14-10-13(14)12-7-5-4-6-8-12/h4-8,13-14H,3,9-10H2,1-2H3,(H,18,20)/b17-11-/t13-,14-/m0/s1.
What are the key properties of ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate?
ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate has a molecular weight of 288.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate is sourced from PubChem (CID 40524833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).