trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide

C19H17N3O4 — CID 6557039

IUPACtrans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C19H17N3O4/c23-18(11-8-13-6-9-15(10-7-13)22(25)26)20-21-19(24)17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12H2,(H,20,23)(H,21,24)/b11-8+/t16-,17+/m0/s1
InChIKeyXQCBUEOBLUJVME-VESHTZQJSA-N
MW351.36 g/mol
LogP2.56
Rot. Bonds5

About trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide

trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide (PubChem CID 6557039) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Nametrans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide
PubChem CID6557039
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Nametrans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C19H17N3O4/c23-18(11-8-13-6-9-15(10-7-13)22(25)26)20-21-19(24)17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12H2,(H,20,23)(H,21,24)/b11-8+/t16-,17+/m0/s1
InChIKeyXQCBUEOBLUJVME-VESHTZQJSA-N
XLogP2.56
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-phenyl-N'-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carbohydrazide
CID 40530433
4-nitro-N'-[(1S,2R)-2-phenylcyclopropanecarbonyl]benzohydrazide
CID 6938443
cis-(1R,2S)-N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6944937
4-oxo-4-[2-[(1S,2S)-2-phenylcyclopropanecarbonyl]hydrazinyl]but-2-enoic acid
CID 7430948
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
CID 26253538
(E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187055
1-(3-nitrophenyl)-3-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]urea
CID 27518401
2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide
CID 3098905
1-(2-methoxy-4-nitrophenyl)-3-[[(1R,2R)-2-phenylcyclopropanecarbonyl]amino]thiourea
CID 40655251
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
(E)-3-(4-nitrophenyl)-N'-[2-(2-phenylphenoxy)acetyl]prop-2-enehydrazide
CID 6182233
trans-(1S,2S)-N-(2-chloro-5-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 903167

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide?
The IUPAC name of trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide (CID 6557039) is trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide.
What is the SMILES notation for trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide?
The canonical SMILES for trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide?
The InChIKey is XQCBUEOBLUJVME-VESHTZQJSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-18(11-8-13-6-9-15(10-7-13)22(25)26)20-21-19(24)17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12H2,(H,20,23)(H,21,24)/b11-8+/t16-,17+/m0/s1.
What are the key properties of trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide?
trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide has a molecular weight of 351.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 6557039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).