N-(cyclopropylideneamino)propanamide

C6H10N2O — CID 123762060

IUPACN-(cyclopropylideneamino)propanamide
SMILESCCC(=O)NN=C1CC1
InChIInChI=1S/C6H10N2O/c1-2-6(9)8-7-5-3-4-5/h2-4H2,1H3,(H,8,9)
InChIKeyUPCJTJMLXJORPI-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.66
Rot. Bonds2

About N-(cyclopropylideneamino)propanamide

N-(cyclopropylideneamino)propanamide (PubChem CID 123762060) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-(cyclopropylideneamino)propanamide.

Molecular Properties

Compound NameN-(cyclopropylideneamino)propanamide
PubChem CID123762060
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-(cyclopropylideneamino)propanamide
SMILESCCC(=O)NN=C1CC1
InChIInChI=1S/C6H10N2O/c1-2-6(9)8-7-5-3-4-5/h2-4H2,1H3,(H,8,9)
InChIKeyUPCJTJMLXJORPI-UHFFFAOYSA-N
XLogP0.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.66
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-(cyclopropylideneamino)propanamide?
The IUPAC name of N-(cyclopropylideneamino)propanamide (CID 123762060) is N-(cyclopropylideneamino)propanamide.
What is the SMILES notation for N-(cyclopropylideneamino)propanamide?
The canonical SMILES for N-(cyclopropylideneamino)propanamide is CCC(=O)NN=C1CC1.
What is the InChIKey of N-(cyclopropylideneamino)propanamide?
The InChIKey is UPCJTJMLXJORPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-6(9)8-7-5-3-4-5/h2-4H2,1H3,(H,8,9).
What are the key properties of N-(cyclopropylideneamino)propanamide?
N-(cyclopropylideneamino)propanamide has a molecular weight of 126.16 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylideneamino)propanamide is sourced from PubChem (CID 123762060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).