N'-hydroxy-3-(prop-2-enylamino)propanimidamide

C6H13N3O — CID 54847030

IUPACN'-hydroxy-3-(prop-2-enylamino)propanimidamide
SMILESC=CCNCC/C(N)=N/O
InChIInChI=1S/C6H13N3O/c1-2-4-8-5-3-6(7)9-10/h2,8,10H,1,3-5H2,(H2,7,9)
InChIKeyAYKOWEDNCHRXHR-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.10
Rot. Bonds5

About N'-hydroxy-3-(prop-2-enylamino)propanimidamide

N'-hydroxy-3-(prop-2-enylamino)propanimidamide (PubChem CID 54847030) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N'-hydroxy-3-(prop-2-enylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(prop-2-enylamino)propanimidamide
PubChem CID54847030
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN'-hydroxy-3-(prop-2-enylamino)propanimidamide
SMILESC=CCNCC/C(N)=N/O
InChIInChI=1S/C6H13N3O/c1-2-4-8-5-3-6(7)9-10/h2,8,10H,1,3-5H2,(H2,7,9)
InChIKeyAYKOWEDNCHRXHR-UHFFFAOYSA-N
XLogP-0.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(prop-2-enylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(prop-2-enylamino)propanimidamide (CID 54847030) is N'-hydroxy-3-(prop-2-enylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(prop-2-enylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(prop-2-enylamino)propanimidamide is C=CCNCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(prop-2-enylamino)propanimidamide?
The InChIKey is AYKOWEDNCHRXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-2-4-8-5-3-6(7)9-10/h2,8,10H,1,3-5H2,(H2,7,9).
What are the key properties of N'-hydroxy-3-(prop-2-enylamino)propanimidamide?
N'-hydroxy-3-(prop-2-enylamino)propanimidamide has a molecular weight of 143.19 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(prop-2-enylamino)propanimidamide is sourced from PubChem (CID 54847030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).