N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide

C9H14N2O — CID 6248883

IUPACN-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N\NC(=O)C1CC1)C1CC1
InChIInChI=1S/C9H14N2O/c1-6(7-2-3-7)10-11-9(12)8-4-5-8/h7-8H,2-5H2,1H3,(H,11,12)/b10-6+
InChIKeyDELUHDIBTDDYEY-UXBLZVDNSA-N
MW166.22 g/mol
LogP1.30
Rot. Bonds3

About N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide

N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide (PubChem CID 6248883) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide
PubChem CID6248883
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N\NC(=O)C1CC1)C1CC1
InChIInChI=1S/C9H14N2O/c1-6(7-2-3-7)10-11-9(12)8-4-5-8/h7-8H,2-5H2,1H3,(H,11,12)/b10-6+
InChIKeyDELUHDIBTDDYEY-UXBLZVDNSA-N
XLogP1.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.30
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-cyclopropylethylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide (CID 6248883) is N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide is C/C(=N\NC(=O)C1CC1)C1CC1.
What is the InChIKey of N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide?
The InChIKey is DELUHDIBTDDYEY-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(7-2-3-7)10-11-9(12)8-4-5-8/h7-8H,2-5H2,1H3,(H,11,12)/b10-6+.
What are the key properties of N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide?
N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide has a molecular weight of 166.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-cyclopropylethylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 6248883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).