N-(1-cyclopropylethylideneamino)cyclopropanecarboxamide

C9H14N2O — CID 5017631

IUPACN-(1-cyclopropylethylideneamino)cyclopropanecarboxamide
SMILESCC(=NNC(=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)
InChIKeyDELUHDIBTDDYEY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.30
Rot. Bonds3

About N-(1-cyclopropylethylideneamino)cyclopropanecarboxamide

N-(1-cyclopropylethylideneamino)cyclopropanecarboxamide (PubChem CID 5017631) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N-(1-cyclopropylethylideneamino)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethylideneamino)cyclopropanecarboxamide
PubChem CID5017631
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN-(1-cyclopropylethylideneamino)cyclopropanecarboxamide
SMILESCC(=NNC(=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)
InChIKeyDELUHDIBTDDYEY-UHFFFAOYSA-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-(1-cyclopropylethylideneamino)cyclopropanecarboxamide?
The IUPAC name of N-(1-cyclopropylethylideneamino)cyclopropanecarboxamide (CID 5017631) is N-(1-cyclopropylethylideneamino)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-cyclopropylethylideneamino)cyclopropanecarboxamide?
The canonical SMILES for N-(1-cyclopropylethylideneamino)cyclopropanecarboxamide is CC(=NNC(=O)C1CC1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethylideneamino)cyclopropanecarboxamide?
The InChIKey is DELUHDIBTDDYEY-UHFFFAOYSA-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).
What are the key properties of N-(1-cyclopropylethylideneamino)cyclopropanecarboxamide?
N-(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-(1-cyclopropylethylideneamino)cyclopropanecarboxamide is sourced from PubChem (CID 5017631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).