N-butan-2-ylidenehydroxylamine;carbonic acid

C5H11NO4 — CID 87857804

IUPACN-butan-2-ylidenehydroxylamine;carbonic acid
SMILESCCC(C)=NO.O=C(O)O
InChIInChI=1S/C4H9NO.CH2O3/c1-3-4(2)5-6;2-1(3)4/h6H,3H2,1-2H3;(H2,2,3,4)
InChIKeyZGQPHZAUVCGLBO-UHFFFAOYSA-N
MW149.15 g/mol
LogP1.47
Rot. Bonds1

About N-butan-2-ylidenehydroxylamine;carbonic acid

N-butan-2-ylidenehydroxylamine;carbonic acid (PubChem CID 87857804) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is N-butan-2-ylidenehydroxylamine;carbonic acid.

Molecular Properties

Compound NameN-butan-2-ylidenehydroxylamine;carbonic acid
PubChem CID87857804
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC NameN-butan-2-ylidenehydroxylamine;carbonic acid
SMILESCCC(C)=NO.O=C(O)O
InChIInChI=1S/C4H9NO.CH2O3/c1-3-4(2)5-6;2-1(3)4/h6H,3H2,1-2H3;(H2,2,3,4)
InChIKeyZGQPHZAUVCGLBO-UHFFFAOYSA-N
XLogP1.47
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.47
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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Related Compounds

acetic acid;N-butan-2-ylidenehydroxylamine
CID 175319893
N-butan-2-ylidenehydroxylamine
CID 7292
N-butan-2-ylidenehydroxylamine;vanadium
CID 162258260
(NZ)-N-butan-2-ylidenehydroxylamine;N-pentan-3-ylidenehydroxylamine
CID 172954644
(NE)-N-butan-2-ylidenehydroxylamine;methoxymethane
CID 89392475
propanoic acid;dihydrofluoride
CID 173419874
2,4-bis(hydroxyimino)pentanoic acid
CID 87969203
carbonic acid;propane
CID 87396872
4-hydroxyimino-2-methylpentanoic acid
CID 151122937
azane;propanoic acid;hydrofluoride
CID 174943472
1-[(E)-butan-2-ylideneamino]-3-methylurea
CID 55220205
bis(N-butan-2-ylidenehydroxylamine);N-(1-phenyl-1-silylbutan-2-ylidene)hydroxylamine
CID 173213543

Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylidenehydroxylamine;carbonic acid?
The IUPAC name of N-butan-2-ylidenehydroxylamine;carbonic acid (CID 87857804) is N-butan-2-ylidenehydroxylamine;carbonic acid.
What is the SMILES notation for N-butan-2-ylidenehydroxylamine;carbonic acid?
The canonical SMILES for N-butan-2-ylidenehydroxylamine;carbonic acid is CCC(C)=NO.O=C(O)O.
What is the InChIKey of N-butan-2-ylidenehydroxylamine;carbonic acid?
The InChIKey is ZGQPHZAUVCGLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.CH2O3/c1-3-4(2)5-6;2-1(3)4/h6H,3H2,1-2H3;(H2,2,3,4).
What are the key properties of N-butan-2-ylidenehydroxylamine;carbonic acid?
N-butan-2-ylidenehydroxylamine;carbonic acid has a molecular weight of 149.15 g/mol, XLogP of 1.47, 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;carbonic acid is sourced from PubChem (CID 87857804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).