N-butan-2-ylidenehydroxylamine;carbamic acid

C5H12N2O3 — CID 162064084

IUPACN-butan-2-ylidenehydroxylamine;carbamic acid
SMILESCCC(C)=NO.NC(=O)O
InChIInChI=1S/C4H9NO.CH3NO2/c1-3-4(2)5-6;2-1(3)4/h6H,3H2,1-2H3;2H2,(H,3,4)
InChIKeyZAFMDTIVYYTWIL-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.87
Rot. Bonds1

About N-butan-2-ylidenehydroxylamine;carbamic acid

N-butan-2-ylidenehydroxylamine;carbamic acid (PubChem CID 162064084) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is N-butan-2-ylidenehydroxylamine;carbamic acid.

Molecular Properties

Compound NameN-butan-2-ylidenehydroxylamine;carbamic acid
PubChem CID162064084
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC NameN-butan-2-ylidenehydroxylamine;carbamic acid
SMILESCCC(C)=NO.NC(=O)O
InChIInChI=1S/C4H9NO.CH3NO2/c1-3-4(2)5-6;2-1(3)4/h6H,3H2,1-2H3;2H2,(H,3,4)
InChIKeyZAFMDTIVYYTWIL-UHFFFAOYSA-N
XLogP0.87
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.87
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylidenehydroxylamine;carbamic acid?
The IUPAC name of N-butan-2-ylidenehydroxylamine;carbamic acid (CID 162064084) is N-butan-2-ylidenehydroxylamine;carbamic acid.
What is the SMILES notation for N-butan-2-ylidenehydroxylamine;carbamic acid?
The canonical SMILES for N-butan-2-ylidenehydroxylamine;carbamic acid is CCC(C)=NO.NC(=O)O.
What is the InChIKey of N-butan-2-ylidenehydroxylamine;carbamic acid?
The InChIKey is ZAFMDTIVYYTWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.CH3NO2/c1-3-4(2)5-6;2-1(3)4/h6H,3H2,1-2H3;2H2,(H,3,4).
What are the key properties of N-butan-2-ylidenehydroxylamine;carbamic acid?
N-butan-2-ylidenehydroxylamine;carbamic acid has a molecular weight of 148.16 g/mol, XLogP of 0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylidenehydroxylamine;carbamic acid is sourced from PubChem (CID 162064084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).