N-[[amino(phenyl)methylidene]amino]prop-2-enamide

C10H11N3O — CID 69455899

IUPACN-[[amino(phenyl)methylidene]amino]prop-2-enamide
SMILESC=CC(=O)NN=C(N)c1ccccc1
InChIInChI=1S/C10H11N3O/c1-2-9(14)12-13-10(11)8-6-4-3-5-7-8/h2-7H,1H2,(H2,11,13)(H,12,14)
InChIKeyDXIPCZANLOJMTD-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.61
Rot. Bonds3

About N-[[amino(phenyl)methylidene]amino]prop-2-enamide

N-[[amino(phenyl)methylidene]amino]prop-2-enamide (PubChem CID 69455899) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-[[amino(phenyl)methylidene]amino]prop-2-enamide.

Molecular Properties

Compound NameN-[[amino(phenyl)methylidene]amino]prop-2-enamide
PubChem CID69455899
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-[[amino(phenyl)methylidene]amino]prop-2-enamide
SMILESC=CC(=O)NN=C(N)c1ccccc1
InChIInChI=1S/C10H11N3O/c1-2-9(14)12-13-10(11)8-6-4-3-5-7-8/h2-7H,1H2,(H2,11,13)(H,12,14)
InChIKeyDXIPCZANLOJMTD-UHFFFAOYSA-N
XLogP0.61
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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-[[amino(phenyl)methylidene]amino]prop-2-enamide?
The IUPAC name of N-[[amino(phenyl)methylidene]amino]prop-2-enamide (CID 69455899) is N-[[amino(phenyl)methylidene]amino]prop-2-enamide.
What is the SMILES notation for N-[[amino(phenyl)methylidene]amino]prop-2-enamide?
The canonical SMILES for N-[[amino(phenyl)methylidene]amino]prop-2-enamide is C=CC(=O)NN=C(N)c1ccccc1.
What is the InChIKey of N-[[amino(phenyl)methylidene]amino]prop-2-enamide?
The InChIKey is DXIPCZANLOJMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-9(14)12-13-10(11)8-6-4-3-5-7-8/h2-7H,1H2,(H2,11,13)(H,12,14).
What are the key properties of N-[[amino(phenyl)methylidene]amino]prop-2-enamide?
N-[[amino(phenyl)methylidene]amino]prop-2-enamide has a molecular weight of 189.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino(phenyl)methylidene]amino]prop-2-enamide is sourced from PubChem (CID 69455899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).