N'-(4-oxopentyl)ethanimidamide

C7H14N2O — CID 59109217

IUPACN'-(4-oxopentyl)ethanimidamide
SMILESCC(=O)CCC/N=C(\C)N
InChIInChI=1S/C7H14N2O/c1-6(10)4-3-5-9-7(2)8/h3-5H2,1-2H3,(H2,8,9)
InChIKeyXZROVYIDUPZTME-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.73
Rot. Bonds4

About N'-(4-oxopentyl)ethanimidamide

N'-(4-oxopentyl)ethanimidamide (PubChem CID 59109217) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N'-(4-oxopentyl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-oxopentyl)ethanimidamide
PubChem CID59109217
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN'-(4-oxopentyl)ethanimidamide
SMILESCC(=O)CCC/N=C(\C)N
InChIInChI=1S/C7H14N2O/c1-6(10)4-3-5-9-7(2)8/h3-5H2,1-2H3,(H2,8,9)
InChIKeyXZROVYIDUPZTME-UHFFFAOYSA-N
XLogP0.73
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Related Compounds

2-Amino-5,6-dihydro-3h-pyridin-4-one
CID 124185360
2-Amino-5,6-dihydropyridin-3(4H)-one
CID 18428533
2-(4-Oxopentyl)guanidine
CID 53692159
1-(5-amino-3,4-dihydro-2H-pyrrol-3-yl)ethanone
CID 70140805
2-(4-Oxohexyl)guanidine
CID 88898570
N'-(2-oxobutyl)ethanimidamide
CID 88981113
N'-(3-oxopentyl)propanimidamide
CID 91186372
2-methyl-N'-(4-oxohexyl)propanimidamide
CID 123806153
6-amino-4,5-dihydro-2H-pyridin-3-one
CID 123839100
N'-ethyl-3-oxobutanimidamide
CID 130383169
N'-methanimidoyl-4-oxopentanimidamide
CID 143167677
Ethane;2-(4-oxopentyl)guanidine
CID 143997216

Frequently Asked Questions

What is the IUPAC name of N'-(4-oxopentyl)ethanimidamide?
The IUPAC name of N'-(4-oxopentyl)ethanimidamide (CID 59109217) is N'-(4-oxopentyl)ethanimidamide.
What is the SMILES notation for N'-(4-oxopentyl)ethanimidamide?
The canonical SMILES for N'-(4-oxopentyl)ethanimidamide is CC(=O)CCC/N=C(\C)N.
What is the InChIKey of N'-(4-oxopentyl)ethanimidamide?
The InChIKey is XZROVYIDUPZTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(10)4-3-5-9-7(2)8/h3-5H2,1-2H3,(H2,8,9).
What are the key properties of N'-(4-oxopentyl)ethanimidamide?
N'-(4-oxopentyl)ethanimidamide has a molecular weight of 142.20 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-oxopentyl)ethanimidamide is sourced from PubChem (CID 59109217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).