acetic acid;N-butan-2-ylidenehydroxylamine

C6H13NO3 — CID 175319893

IUPACacetic acid;N-butan-2-ylidenehydroxylamine
SMILESCC(=O)O.CCC(C)=NO
InChIInChI=1S/C4H9NO.C2H4O2/c1-3-4(2)5-6;1-2(3)4/h6H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyUWFIACGKQZCOCG-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.34
Rot. Bonds1

About acetic acid;N-butan-2-ylidenehydroxylamine

acetic acid;N-butan-2-ylidenehydroxylamine (PubChem CID 175319893) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is acetic acid;N-butan-2-ylidenehydroxylamine.

Molecular Properties

Compound Nameacetic acid;N-butan-2-ylidenehydroxylamine
PubChem CID175319893
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameacetic acid;N-butan-2-ylidenehydroxylamine
SMILESCC(=O)O.CCC(C)=NO
InChIInChI=1S/C4H9NO.C2H4O2/c1-3-4(2)5-6;1-2(3)4/h6H,3H2,1-2H3;1H3,(H,3,4)
InChIKeyUWFIACGKQZCOCG-UHFFFAOYSA-N
XLogP1.34
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze acetic acid;N-butan-2-ylidenehydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-ylidenehydroxylamine;carbonic acid
CID 87857804
N-butan-2-ylidenehydroxylamine
CID 7292
N-butan-2-ylidenehydroxylamine;vanadium
CID 162258260
(NE)-N-butan-2-ylidenehydroxylamine;methoxymethane
CID 89392475
(NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine
CID 172954644
acetic acid;lanthanum
CID 4570825
acetic acid;cobalt;propanoic acid
CID 173406712
acetic acid;azane;propane
CID 173127482
propanoic acid;dihydrofluoride
CID 173419874
2,4-bis(hydroxyimino)pentanoic acid
CID 87969203
acetic acid;iron;hydrofluoride
CID 174806261
acetic acid
CID 158444727

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-butan-2-ylidenehydroxylamine?
The IUPAC name of acetic acid;N-butan-2-ylidenehydroxylamine (CID 175319893) is acetic acid;N-butan-2-ylidenehydroxylamine.
What is the SMILES notation for acetic acid;N-butan-2-ylidenehydroxylamine?
The canonical SMILES for acetic acid;N-butan-2-ylidenehydroxylamine is CC(=O)O.CCC(C)=NO.
What is the InChIKey of acetic acid;N-butan-2-ylidenehydroxylamine?
The InChIKey is UWFIACGKQZCOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H4O2/c1-3-4(2)5-6;1-2(3)4/h6H,3H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-butan-2-ylidenehydroxylamine?
acetic acid;N-butan-2-ylidenehydroxylamine has a molecular weight of 147.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-butan-2-ylidenehydroxylamine is sourced from PubChem (CID 175319893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).