N'-hydroxy-4-(prop-2-enylamino)butanimidamide

C7H15N3O — CID 77027027

IUPACN'-hydroxy-4-(prop-2-enylamino)butanimidamide
SMILESC=CCNCCCC(N)=NO
InChIInChI=1S/C7H15N3O/c1-2-5-9-6-3-4-7(8)10-11/h2,9,11H,1,3-6H2,(H2,8,10)
InChIKeyKKRNKEGYOCYJTB-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.29
Rot. Bonds6

About N'-hydroxy-4-(prop-2-enylamino)butanimidamide

N'-hydroxy-4-(prop-2-enylamino)butanimidamide (PubChem CID 77027027) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is N'-hydroxy-4-(prop-2-enylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(prop-2-enylamino)butanimidamide
PubChem CID77027027
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC NameN'-hydroxy-4-(prop-2-enylamino)butanimidamide
SMILESC=CCNCCCC(N)=NO
InChIInChI=1S/C7H15N3O/c1-2-5-9-6-3-4-7(8)10-11/h2,9,11H,1,3-6H2,(H2,8,10)
InChIKeyKKRNKEGYOCYJTB-UHFFFAOYSA-N
XLogP0.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.29
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-4-(prop-2-enylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(prop-2-enylamino)butanimidamide (CID 77027027) is N'-hydroxy-4-(prop-2-enylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(prop-2-enylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(prop-2-enylamino)butanimidamide is C=CCNCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-4-(prop-2-enylamino)butanimidamide?
The InChIKey is KKRNKEGYOCYJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-2-5-9-6-3-4-7(8)10-11/h2,9,11H,1,3-6H2,(H2,8,10).
What are the key properties of N'-hydroxy-4-(prop-2-enylamino)butanimidamide?
N'-hydroxy-4-(prop-2-enylamino)butanimidamide has a molecular weight of 157.22 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(prop-2-enylamino)butanimidamide is sourced from PubChem (CID 77027027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).