N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine

C9H13N3O — CID 145373416

IUPACN-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine
SMILESC/C(N)=C/Nc1ccc(NO)cc1
InChIInChI=1S/C9H13N3O/c1-7(10)6-11-8-2-4-9(12-13)5-3-8/h2-6,11-13H,10H2,1H3/b7-6-
InChIKeyHDGAEVKQEJENIA-SREVYHEPSA-N
MW179.22 g/mol
LogP1.72
Rot. Bonds3

About N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine

N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine (PubChem CID 145373416) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine
PubChem CID145373416
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine
SMILESC/C(N)=C/Nc1ccc(NO)cc1
InChIInChI=1S/C9H13N3O/c1-7(10)6-11-8-2-4-9(12-13)5-3-8/h2-6,11-13H,10H2,1H3/b7-6-
InChIKeyHDGAEVKQEJENIA-SREVYHEPSA-N
XLogP1.72
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine?
The IUPAC name of N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine (CID 145373416) is N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine.
What is the SMILES notation for N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine?
The canonical SMILES for N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine is C/C(N)=C/Nc1ccc(NO)cc1.
What is the InChIKey of N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine?
The InChIKey is HDGAEVKQEJENIA-SREVYHEPSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(10)6-11-8-2-4-9(12-13)5-3-8/h2-6,11-13H,10H2,1H3/b7-6-.
What are the key properties of N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine?
N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(Z)-2-aminoprop-1-enyl]amino]phenyl]hydroxylamine is sourced from PubChem (CID 145373416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).