N-pentan-3-ylidenehydroxylamine

C5H11NO — CID 2801745

IUPACN-pentan-3-ylidenehydroxylamine
SMILESCCC(CC)=NO
InChIInChI=1S/C5H11NO/c1-3-5(4-2)6-7/h7H,3-4H2,1-2H3
InChIKeyNAQQTJZRCYNBRX-UHFFFAOYSA-N
MW101.15 g/mol
LogP1.64
Rot. Bonds2

About N-pentan-3-ylidenehydroxylamine

N-pentan-3-ylidenehydroxylamine (PubChem CID 2801745) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-pentan-3-ylidenehydroxylamine.

Molecular Properties

Compound NameN-pentan-3-ylidenehydroxylamine
PubChem CID2801745
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-pentan-3-ylidenehydroxylamine
SMILESCCC(CC)=NO
InChIInChI=1S/C5H11NO/c1-3-5(4-2)6-7/h7H,3-4H2,1-2H3
InChIKeyNAQQTJZRCYNBRX-UHFFFAOYSA-N
XLogP1.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.64
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-pentan-3-ylidenehydroxylamine?
The IUPAC name of N-pentan-3-ylidenehydroxylamine (CID 2801745) is N-pentan-3-ylidenehydroxylamine.
What is the SMILES notation for N-pentan-3-ylidenehydroxylamine?
The canonical SMILES for N-pentan-3-ylidenehydroxylamine is CCC(CC)=NO.
What is the InChIKey of N-pentan-3-ylidenehydroxylamine?
The InChIKey is NAQQTJZRCYNBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(4-2)6-7/h7H,3-4H2,1-2H3.
What are the key properties of N-pentan-3-ylidenehydroxylamine?
N-pentan-3-ylidenehydroxylamine has a molecular weight of 101.15 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-ylidenehydroxylamine is sourced from PubChem (CID 2801745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).