1-[(E)-2-oxopent-3-enylidene]guanidine

C6H9N3O — CID 123227345

IUPAC1-[(E)-2-oxopent-3-enylidene]guanidine
SMILES[H]/N=C(\N)N=CC(=O)/C=C/C
InChIInChI=1S/C6H9N3O/c1-2-3-5(10)4-9-6(7)8/h2-4H,1H3,(H3,7,8)/b3-2+,9-4?
InChIKeyGIKSLZSJQBRAEN-MFNQIRJZSA-N
MW139.16 g/mol
LogP0.10
Rot. Bonds2

About 1-[(E)-2-oxopent-3-enylidene]guanidine

1-[(E)-2-oxopent-3-enylidene]guanidine (PubChem CID 123227345) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-[(E)-2-oxopent-3-enylidene]guanidine.

Molecular Properties

Compound Name1-[(E)-2-oxopent-3-enylidene]guanidine
PubChem CID123227345
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-[(E)-2-oxopent-3-enylidene]guanidine
SMILES[H]/N=C(\N)N=CC(=O)/C=C/C
InChIInChI=1S/C6H9N3O/c1-2-3-5(10)4-9-6(7)8/h2-4H,1H3,(H3,7,8)/b3-2+,9-4?
InChIKeyGIKSLZSJQBRAEN-MFNQIRJZSA-N
XLogP0.10
TPSA79.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hepta-2,5-dien-4-one
CID 54179619
cyclopentanamine;(1Z)-1-(2-iminopropylidene)guanidine
CID 171101243
(Z)-2-methyliminopent-3-enamide
CID 126689701
(E)-but-2-enamide;ethane
CID 145356551
(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576
[(Z)-6-amino-5-imino-4-methyl-6-oxohex-3-en-2-ylidene]azanium
CID 143477267
(1Z,4Z)-1-aminohexa-1,4-dien-3-one
CID 143438957
carbamimidoyl-(N-methyl-C-prop-1-enylcarbonimidoyl)azanium
CID 163718317
ethene;(Z)-3-imino-5-methylideneoct-6-en-2-one
CID 145093202
2-carbamimidoyl-1-chloro-1-prop-1-enylguanidine
CID 176536925
3-iminohex-4-en-2-yl acetate
CID 123933445
2-oxopropylideneurea
CID 154176026

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-oxopent-3-enylidene]guanidine?
The IUPAC name of 1-[(E)-2-oxopent-3-enylidene]guanidine (CID 123227345) is 1-[(E)-2-oxopent-3-enylidene]guanidine.
What is the SMILES notation for 1-[(E)-2-oxopent-3-enylidene]guanidine?
The canonical SMILES for 1-[(E)-2-oxopent-3-enylidene]guanidine is [H]/N=C(\N)N=CC(=O)/C=C/C.
What is the InChIKey of 1-[(E)-2-oxopent-3-enylidene]guanidine?
The InChIKey is GIKSLZSJQBRAEN-MFNQIRJZSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-3-5(10)4-9-6(7)8/h2-4H,1H3,(H3,7,8)/b3-2+,9-4?.
What are the key properties of 1-[(E)-2-oxopent-3-enylidene]guanidine?
1-[(E)-2-oxopent-3-enylidene]guanidine has a molecular weight of 139.16 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-oxopent-3-enylidene]guanidine is sourced from PubChem (CID 123227345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).