ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate

C15H23N3O5 — CID 6232240

IUPACethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate
SMILESCCOC(=O)/C=C/C(=O)NNC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C15H23N3O5/c1-2-23-14(21)9-8-12(19)17-18-13(20)10-16-15(22)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,16,22)(H,17,19)(H,18,20)/b9-8+
InChIKeyFFYYXRANORZYBI-CMDGGOBGSA-N
MW325.37 g/mol
LogP-0.05
Rot. Bonds6

About ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate

ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate (PubChem CID 6232240) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate
PubChem CID6232240
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Nameethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate
SMILESCCOC(=O)/C=C/C(=O)NNC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C15H23N3O5/c1-2-23-14(21)9-8-12(19)17-18-13(20)10-16-15(22)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,16,22)(H,17,19)(H,18,20)/b9-8+
InChIKeyFFYYXRANORZYBI-CMDGGOBGSA-N
XLogP-0.05
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate?
The IUPAC name of ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate (CID 6232240) is ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate.
What is the SMILES notation for ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate?
The canonical SMILES for ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate is CCOC(=O)/C=C/C(=O)NNC(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate?
The InChIKey is FFYYXRANORZYBI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-2-23-14(21)9-8-12(19)17-18-13(20)10-16-15(22)11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,16,22)(H,17,19)(H,18,20)/b9-8+.
What are the key properties of ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate?
ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate has a molecular weight of 325.37 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-[2-[2-(cyclohexanecarbonylamino)acetyl]hydrazinyl]-4-oxobut-2-enoate is sourced from PubChem (CID 6232240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).