N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide

C14H18N2O — CID 5334232

IUPACN-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N\NC(=O)C1CC1)c1ccc(C)c(C)c1
InChIInChI=1S/C14H18N2O/c1-9-4-5-13(8-10(9)2)11(3)15-16-14(17)12-6-7-12/h4-5,8,12H,6-7H2,1-3H3,(H,16,17)/b15-11+
InChIKeyFPNYAHZSKKLVFF-RVDMUPIBSA-N
MW230.31 g/mol
LogP2.55
Rot. Bonds3

About N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide

N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide (PubChem CID 5334232) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide
PubChem CID5334232
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N\NC(=O)C1CC1)c1ccc(C)c(C)c1
InChIInChI=1S/C14H18N2O/c1-9-4-5-13(8-10(9)2)11(3)15-16-14(17)12-6-7-12/h4-5,8,12H,6-7H2,1-3H3,(H,16,17)/b15-11+
InChIKeyFPNYAHZSKKLVFF-RVDMUPIBSA-N
XLogP2.55
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.55
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)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide (CID 5334232) is N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide is C/C(=N\NC(=O)C1CC1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide?
The InChIKey is FPNYAHZSKKLVFF-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-4-5-13(8-10(9)2)11(3)15-16-14(17)12-6-7-12/h4-5,8,12H,6-7H2,1-3H3,(H,16,17)/b15-11+.
What are the key properties of N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide?
N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 5334232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).