carbamic acid;N-propan-2-ylidenehydroxylamine

C4H10N2O3 — CID 22915581

IUPACcarbamic acid;N-propan-2-ylidenehydroxylamine
SMILESCC(C)=NO.NC(=O)O
InChIInChI=1S/C3H7NO.CH3NO2/c1-3(2)4-5;2-1(3)4/h5H,1-2H3;2H2,(H,3,4)
InChIKeySWQLOLBPUCIEAJ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.48
Rot. Bonds

About carbamic acid;N-propan-2-ylidenehydroxylamine

carbamic acid;N-propan-2-ylidenehydroxylamine (PubChem CID 22915581) has the molecular formula C4H10N2O3 and a molecular weight of 134.14 g/mol. Its IUPAC name is carbamic acid;N-propan-2-ylidenehydroxylamine.

Molecular Properties

Compound Namecarbamic acid;N-propan-2-ylidenehydroxylamine
PubChem CID22915581
Molecular FormulaC4H10N2O3
Molecular Weight134.14 g/mol
Exact Mass134.07
IUPAC Namecarbamic acid;N-propan-2-ylidenehydroxylamine
SMILESCC(C)=NO.NC(=O)O
InChIInChI=1S/C3H7NO.CH3NO2/c1-3(2)4-5;2-1(3)4/h5H,1-2H3;2H2,(H,3,4)
InChIKeySWQLOLBPUCIEAJ-UHFFFAOYSA-N
XLogP0.48
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.48
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

Dimethylglyoxime-urethane
CID 153639052
(Propan-2-ylideneamino) carbamate
CID 250603
(Butan-2-ylideneamino) carbamate
CID 54343836
[(E)-butan-2-ylideneamino] carbamate
CID 55289974
Carbamoyloxy-methyl-propan-2-ylideneazanium
CID 87661891
[(Z)-butan-2-ylideneamino] carbamate
CID 117848288
(Hexan-2-ylideneamino) carbamate
CID 123401355
Pentane;(propan-2-ylideneamino) carbamate
CID 142046526
carbamic acid;N-cyclobutylidenehydroxylamine
CID 158489173
N-butan-2-ylidenehydroxylamine;carbamic acid
CID 162064084
[(E)-1-aminopropan-2-ylideneamino] carbamate
CID 167057601
carbamic acid;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 175173271

Frequently Asked Questions

What is the IUPAC name of carbamic acid;N-propan-2-ylidenehydroxylamine?
The IUPAC name of carbamic acid;N-propan-2-ylidenehydroxylamine (CID 22915581) is carbamic acid;N-propan-2-ylidenehydroxylamine.
What is the SMILES notation for carbamic acid;N-propan-2-ylidenehydroxylamine?
The canonical SMILES for carbamic acid;N-propan-2-ylidenehydroxylamine is CC(C)=NO.NC(=O)O.
What is the InChIKey of carbamic acid;N-propan-2-ylidenehydroxylamine?
The InChIKey is SWQLOLBPUCIEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.CH3NO2/c1-3(2)4-5;2-1(3)4/h5H,1-2H3;2H2,(H,3,4).
What are the key properties of carbamic acid;N-propan-2-ylidenehydroxylamine?
carbamic acid;N-propan-2-ylidenehydroxylamine has a molecular weight of 134.14 g/mol, XLogP of 0.48, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;N-propan-2-ylidenehydroxylamine is sourced from PubChem (CID 22915581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).