N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide

C11H13N3O — CID 174029360

IUPACN-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide
SMILESNC=C(/C=N/c1ccccc1)CNC=O
InChIInChI=1S/C11H13N3O/c12-6-10(7-13-9-15)8-14-11-4-2-1-3-5-11/h1-6,8-9H,7,12H2,(H,13,15)/b10-6?,14-8+
InChIKeyYPVMFXOZNLTSBK-FZRHVDPOSA-N
MW203.25 g/mol
LogP0.98
Rot. Bonds5

About N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide

N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide (PubChem CID 174029360) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide.

Molecular Properties

Compound NameN-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide
PubChem CID174029360
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide
SMILESNC=C(/C=N/c1ccccc1)CNC=O
InChIInChI=1S/C11H13N3O/c12-6-10(7-13-9-15)8-14-11-4-2-1-3-5-11/h1-6,8-9H,7,12H2,(H,13,15)/b10-6?,14-8+
InChIKeyYPVMFXOZNLTSBK-FZRHVDPOSA-N
XLogP0.98
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide?
The IUPAC name of N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide (CID 174029360) is N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide.
What is the SMILES notation for N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide?
The canonical SMILES for N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide is NC=C(/C=N/c1ccccc1)CNC=O.
What is the InChIKey of N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide?
The InChIKey is YPVMFXOZNLTSBK-FZRHVDPOSA-N. The full InChI is InChI=1S/C11H13N3O/c12-6-10(7-13-9-15)8-14-11-4-2-1-3-5-11/h1-6,8-9H,7,12H2,(H,13,15)/b10-6?,14-8+.
What are the key properties of N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide?
N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide has a molecular weight of 203.25 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-(phenyliminomethyl)prop-2-enyl]formamide is sourced from PubChem (CID 174029360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).