N-pent-3-en-2-ylidenehydroxylamine

C5H9NO — CID 139631450

IUPACN-pent-3-en-2-ylidenehydroxylamine
SMILESCC=CC(C)=NO
InChIInChI=1S/C5H9NO/c1-3-4-5(2)6-7/h3-4,7H,1-2H3
InChIKeyODJDPMLKZFPXSG-UHFFFAOYSA-N
MW99.13 g/mol
LogP1.41
Rot. Bonds1

About N-pent-3-en-2-ylidenehydroxylamine

N-pent-3-en-2-ylidenehydroxylamine (PubChem CID 139631450) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is N-pent-3-en-2-ylidenehydroxylamine.

Molecular Properties

Compound NameN-pent-3-en-2-ylidenehydroxylamine
PubChem CID139631450
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC NameN-pent-3-en-2-ylidenehydroxylamine
SMILESCC=CC(C)=NO
InChIInChI=1S/C5H9NO/c1-3-4-5(2)6-7/h3-4,7H,1-2H3
InChIKeyODJDPMLKZFPXSG-UHFFFAOYSA-N
XLogP1.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-pent-3-en-2-ylidenehydroxylamine?
The IUPAC name of N-pent-3-en-2-ylidenehydroxylamine (CID 139631450) is N-pent-3-en-2-ylidenehydroxylamine.
What is the SMILES notation for N-pent-3-en-2-ylidenehydroxylamine?
The canonical SMILES for N-pent-3-en-2-ylidenehydroxylamine is CC=CC(C)=NO.
What is the InChIKey of N-pent-3-en-2-ylidenehydroxylamine?
The InChIKey is ODJDPMLKZFPXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-3-4-5(2)6-7/h3-4,7H,1-2H3.
What are the key properties of N-pent-3-en-2-ylidenehydroxylamine?
N-pent-3-en-2-ylidenehydroxylamine has a molecular weight of 99.13 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-en-2-ylidenehydroxylamine is sourced from PubChem (CID 139631450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).