C6H12N2O3 — CID 171370380

IUPAC—
SMILESCC(C)(C)OC(=O)C(N)=NO
InChIInChI=1S/C6H12N2O3/c1-6(2,3)11-5(9)4(7)8-10/h10H,1-3H3,(H2,7,8)
InChIKeyHXOMMZFQLTXHIZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.07
Rot. Bonds

About

(PubChem CID 171370380) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol.

Molecular Properties

Compound Name
PubChem CID171370380
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name—
SMILESCC(C)(C)OC(=O)C(N)=NO
InChIInChI=1S/C6H12N2O3/c1-6(2,3)11-5(9)4(7)8-10/h10H,1-3H3,(H2,7,8)
InChIKeyHXOMMZFQLTXHIZ-UHFFFAOYSA-N
XLogP0.07
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

tert-butyl (2E)-2-amino-2-chloroiminoacetate
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ditert-butyl oxalate;hydrazine
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ethyl (2E)-2-amino-2-hydroxyiminoacetate
CID 6411350
tert-butyl (Z)-3-amino-2-(methylamino)but-2-enoate
CID 134502254
tert-butyl 3-amino-3-hydroxyiminopropanoate
CID 76589802
tert-butyl 3-amino-2-thiocyanatobut-2-enoate
CID 141433854
tert-butyl N-[(1E)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]carbamate
CID 56828012
tert-butyl (E,2Z)-2-(1-aminoethylidene)-5-oxohex-3-enoate
CID 102484674
potassium 2-[(2-methylpropan-2-yl)oxy]-2-oxoacetate
CID 75527807
tert-butyl carbamate;molecular nitrogen
CID 176888665
(Z)-2-methyl-1,3-bis[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-en-1-olate
CID 134894334
(E)-but-2-enedioic acid;tert-butyl carbamate
CID 174561382

Frequently Asked Questions

What is the IUPAC name of ?
The IUPAC name of (CID 171370380) is not available.
What is the SMILES notation for ?
The canonical SMILES for is CC(C)(C)OC(=O)C(N)=NO.
What is the InChIKey of ?
The InChIKey is HXOMMZFQLTXHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-6(2,3)11-5(9)4(7)8-10/h10H,1-3H3,(H2,7,8).
What are the key properties of ?
has a molecular weight of 160.17 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for is sourced from PubChem (CID 171370380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).