N-oxopropanimidamide

C3H6N2O — CID 174117199

IUPACN-oxopropanimidamide
SMILES[H]/N=C(\CC)N=O
InChIInChI=1S/C3H6N2O/c1-2-3(4)5-6/h4H,2H2,1H3/b4-3+
InChIKeyNMPBGLBYRLUCEP-ONEGZZNKSA-N
MW86.09 g/mol
LogP1.14
Rot. Bonds1

About N-oxopropanimidamide

N-oxopropanimidamide (PubChem CID 174117199) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is N-oxopropanimidamide.

Molecular Properties

Compound NameN-oxopropanimidamide
PubChem CID174117199
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC NameN-oxopropanimidamide
SMILES[H]/N=C(\CC)N=O
InChIInChI=1S/C3H6N2O/c1-2-3(4)5-6/h4H,2H2,1H3/b4-3+
InChIKeyNMPBGLBYRLUCEP-ONEGZZNKSA-N
XLogP1.14
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-prop-1-enyl]iminopropanimidamide
CID 144524020
N'-propanimidoylpropanimidamide
CID 58804639
N-oxoethanimidamide
CID 134954797
heptane-3,5-diimine
CID 142023911
2-iminopentan-3-one;methanol
CID 144635571
propanimidoylphosphonic acid
CID 91928949
methanamine;propanimidamide
CID 158653796
(Z)-3-methyl-2-nitrosopent-2-ene
CID 123456220
6-iminoocta-2,4-dienal
CID 142648191
hexan-3-imine
CID 44512023
hydron;propanimidate;hydrochloride
CID 173251815
1-dimethylphosphanyl-1-iminobutan-2-one
CID 91138970

Frequently Asked Questions

What is the IUPAC name of N-oxopropanimidamide?
The IUPAC name of N-oxopropanimidamide (CID 174117199) is N-oxopropanimidamide.
What is the SMILES notation for N-oxopropanimidamide?
The canonical SMILES for N-oxopropanimidamide is [H]/N=C(\CC)N=O.
What is the InChIKey of N-oxopropanimidamide?
The InChIKey is NMPBGLBYRLUCEP-ONEGZZNKSA-N. The full InChI is InChI=1S/C3H6N2O/c1-2-3(4)5-6/h4H,2H2,1H3/b4-3+.
What are the key properties of N-oxopropanimidamide?
N-oxopropanimidamide has a molecular weight of 86.09 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxopropanimidamide is sourced from PubChem (CID 174117199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).