1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide

C11H14N2O2 — CID 143768487

IUPAC1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide
SMILESC=C/C=C(\C=C)NC(=O)C1(C(N)=O)CC1
InChIInChI=1S/C11H14N2O2/c1-3-5-8(4-2)13-10(15)11(6-7-11)9(12)14/h3-5H,1-2,6-7H2,(H2,12,14)(H,13,15)/b8-5+
InChIKeyDFUBKCLWVIDWCF-VMPITWQZSA-N
MW206.24 g/mol
LogP0.62
Rot. Bonds5

About 1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide

1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 143768487) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide
PubChem CID143768487
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide
SMILESC=C/C=C(\C=C)NC(=O)C1(C(N)=O)CC1
InChIInChI=1S/C11H14N2O2/c1-3-5-8(4-2)13-10(15)11(6-7-11)9(12)14/h3-5H,1-2,6-7H2,(H2,12,14)(H,13,15)/b8-5+
InChIKeyDFUBKCLWVIDWCF-VMPITWQZSA-N
XLogP0.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide (CID 143768487) is 1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide is C=C/C=C(\C=C)NC(=O)C1(C(N)=O)CC1.
What is the InChIKey of 1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is DFUBKCLWVIDWCF-VMPITWQZSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-5-8(4-2)13-10(15)11(6-7-11)9(12)14/h3-5H,1-2,6-7H2,(H2,12,14)(H,13,15)/b8-5+.
What are the key properties of 1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide?
1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 206.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3E)-hexa-1,3,5-trien-3-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 143768487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).