N-pentylidenehydroxylamine

C5H11NO — CID 547701

IUPACN-pentylidenehydroxylamine
SMILESCCCCC=NO
InChIInChI=1S/C5H11NO/c1-2-3-4-5-6-7/h5,7H,2-4H2,1H3
InChIKeyYUKIAUPQUWVLBK-UHFFFAOYSA-N
MW101.15 g/mol
LogP1.64
Rot. Bonds3

About N-pentylidenehydroxylamine

N-pentylidenehydroxylamine (PubChem CID 547701) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-pentylidenehydroxylamine.

Molecular Properties

Compound NameN-pentylidenehydroxylamine
PubChem CID547701
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-pentylidenehydroxylamine
SMILESCCCCC=NO
InChIInChI=1S/C5H11NO/c1-2-3-4-5-6-7/h5,7H,2-4H2,1H3
InChIKeyYUKIAUPQUWVLBK-UHFFFAOYSA-N
XLogP1.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pentylidenehydroxylamine?
The IUPAC name of N-pentylidenehydroxylamine (CID 547701) is N-pentylidenehydroxylamine.
What is the SMILES notation for N-pentylidenehydroxylamine?
The canonical SMILES for N-pentylidenehydroxylamine is CCCCC=NO.
What is the InChIKey of N-pentylidenehydroxylamine?
The InChIKey is YUKIAUPQUWVLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-3-4-5-6-7/h5,7H,2-4H2,1H3.
What are the key properties of N-pentylidenehydroxylamine?
N-pentylidenehydroxylamine has a molecular weight of 101.15 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylidenehydroxylamine is sourced from PubChem (CID 547701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).