N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

C18H24N2O — CID 6049016

IUPACN-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESC/C(CCc1ccccc1)=N\NC(=O)C1C2CCCCC21
InChIInChI=1S/C18H24N2O/c1-13(11-12-14-7-3-2-4-8-14)19-20-18(21)17-15-9-5-6-10-16(15)17/h2-4,7-8,15-17H,5-6,9-12H2,1H3,(H,20,21)/b19-13+
InChIKeyWAUKWYJESPFVEF-CPNJWEJPSA-N
MW284.40 g/mol
LogP3.55
Rot. Bonds5

About N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 6049016) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID6049016
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESC/C(CCc1ccccc1)=N\NC(=O)C1C2CCCCC21
InChIInChI=1S/C18H24N2O/c1-13(11-12-14-7-3-2-4-8-14)19-20-18(21)17-15-9-5-6-10-16(15)17/h2-4,7-8,15-17H,5-6,9-12H2,1H3,(H,20,21)/b19-13+
InChIKeyWAUKWYJESPFVEF-CPNJWEJPSA-N
XLogP3.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (CID 6049016) is N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is C/C(CCc1ccccc1)=N\NC(=O)C1C2CCCCC21.
What is the InChIKey of N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is WAUKWYJESPFVEF-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(11-12-14-7-3-2-4-8-14)19-20-18(21)17-15-9-5-6-10-16(15)17/h2-4,7-8,15-17H,5-6,9-12H2,1H3,(H,20,21)/b19-13+.
What are the key properties of N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-phenylbutan-2-ylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 6049016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).