N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide

C12H14N2O — CID 6907933

IUPACN-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCc1ccccc1/C=N/NC(=O)C1CC1
InChIInChI=1S/C12H14N2O/c1-9-4-2-3-5-11(9)8-13-14-12(15)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,14,15)/b13-8+
InChIKeyNHPAREIARBBHSJ-MDWZMJQESA-N
MW202.26 g/mol
LogP1.86
Rot. Bonds3

About N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide (PubChem CID 6907933) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
PubChem CID6907933
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide
SMILESCc1ccccc1/C=N/NC(=O)C1CC1
InChIInChI=1S/C12H14N2O/c1-9-4-2-3-5-11(9)8-13-14-12(15)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,14,15)/b13-8+
InChIKeyNHPAREIARBBHSJ-MDWZMJQESA-N
XLogP1.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.86
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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Related Compounds

1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
N-[(E)-(2-chlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 5334576
N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
N-[(2-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 24819076
2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
CID 26871360
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907928
N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6910562
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
N-[(Z)-(2-methoxyphenyl)methylideneamino]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 126013213
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide (CID 6907933) is N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide is Cc1ccccc1/C=N/NC(=O)C1CC1.
What is the InChIKey of N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is NHPAREIARBBHSJ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-4-2-3-5-11(9)8-13-14-12(15)10-6-7-10/h2-5,8,10H,6-7H2,1H3,(H,14,15)/b13-8+.
What are the key properties of N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 202.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methylphenyl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 6907933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).