2-iminopropanediamide

C3H5N3O2 — CID 15168921

IUPAC2-iminopropanediamide
SMILES[H]N=C(C(N)=O)C(N)=O
InChIInChI=1S/C3H5N3O2/c4-1(2(5)7)3(6)8/h4H,(H2,5,7)(H2,6,8)
InChIKeyDPRLQYSTPKQKRP-UHFFFAOYSA-N
MW115.09 g/mol
LogP-2.02
Rot. Bonds2

About 2-iminopropanediamide

2-iminopropanediamide (PubChem CID 15168921) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is 2-iminopropanediamide.

Molecular Properties

Compound Name2-iminopropanediamide
PubChem CID15168921
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Name2-iminopropanediamide
SMILES[H]N=C(C(N)=O)C(N)=O
InChIInChI=1S/C3H5N3O2/c4-1(2(5)7)3(6)8/h4H,(H2,5,7)(H2,6,8)
InChIKeyDPRLQYSTPKQKRP-UHFFFAOYSA-N
XLogP-2.02
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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guanidine;propanamide
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guanidine;sulfuric acid;urea
CID 87661004
2-aminoprop-2-enamide
CID 3332061
carbonic acid;oxamic acid
CID 87882042
CID 174978935
CID 174978935
propanediamide
CID 7911
tantalum;urea
CID 159758921

Frequently Asked Questions

What is the IUPAC name of 2-iminopropanediamide?
The IUPAC name of 2-iminopropanediamide (CID 15168921) is 2-iminopropanediamide.
What is the SMILES notation for 2-iminopropanediamide?
The canonical SMILES for 2-iminopropanediamide is [H]N=C(C(N)=O)C(N)=O.
What is the InChIKey of 2-iminopropanediamide?
The InChIKey is DPRLQYSTPKQKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c4-1(2(5)7)3(6)8/h4H,(H2,5,7)(H2,6,8).
What are the key properties of 2-iminopropanediamide?
2-iminopropanediamide has a molecular weight of 115.09 g/mol, XLogP of -2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminopropanediamide is sourced from PubChem (CID 15168921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).