2-(5-imino-4-oxopentyl)guanidine

C6H12N4O — CID 163589011

IUPAC2-(5-imino-4-oxopentyl)guanidine
SMILES[H]/N=C/C(=O)CCCN=C(N)N
InChIInChI=1S/C6H12N4O/c7-4-5(11)2-1-3-10-6(8)9/h4,7H,1-3H2,(H4,8,9,10)/b7-4+
InChIKeyGNXYPBUSSUOWSW-QPJJXVBHSA-N
MW156.19 g/mol
LogP-0.74
Rot. Bonds5

About 2-(5-imino-4-oxopentyl)guanidine

2-(5-imino-4-oxopentyl)guanidine (PubChem CID 163589011) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-(5-imino-4-oxopentyl)guanidine.

Molecular Properties

Compound Name2-(5-imino-4-oxopentyl)guanidine
PubChem CID163589011
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-(5-imino-4-oxopentyl)guanidine
SMILES[H]/N=C/C(=O)CCCN=C(N)N
InChIInChI=1S/C6H12N4O/c7-4-5(11)2-1-3-10-6(8)9/h4,7H,1-3H2,(H4,8,9,10)/b7-4+
InChIKeyGNXYPBUSSUOWSW-QPJJXVBHSA-N
XLogP-0.74
TPSA105.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.74
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-imino-4-oxopentyl)guanidine?
The IUPAC name of 2-(5-imino-4-oxopentyl)guanidine (CID 163589011) is 2-(5-imino-4-oxopentyl)guanidine.
What is the SMILES notation for 2-(5-imino-4-oxopentyl)guanidine?
The canonical SMILES for 2-(5-imino-4-oxopentyl)guanidine is [H]/N=C/C(=O)CCCN=C(N)N.
What is the InChIKey of 2-(5-imino-4-oxopentyl)guanidine?
The InChIKey is GNXYPBUSSUOWSW-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H12N4O/c7-4-5(11)2-1-3-10-6(8)9/h4,7H,1-3H2,(H4,8,9,10)/b7-4+.
What are the key properties of 2-(5-imino-4-oxopentyl)guanidine?
2-(5-imino-4-oxopentyl)guanidine has a molecular weight of 156.19 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-imino-4-oxopentyl)guanidine is sourced from PubChem (CID 163589011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).