5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane

C10H17N3O — CID 145188394

IUPAC5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane
SMILESCC.[H]/N=C(\CC)c1[nH]c(=O)ccc1N
InChIInChI=1S/C8H11N3O.C2H6/c1-2-5(9)8-6(10)3-4-7(12)11-8;1-2/h3-4,9H,2,10H2,1H3,(H,11,12);1-2H3/b9-5+;
InChIKeyNFSPSIGLACUSIW-SZKNIZGXSA-N
MW195.27 g/mol
LogP1.76
Rot. Bonds2

About 5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane

5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane (PubChem CID 145188394) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane
PubChem CID145188394
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane
SMILESCC.[H]/N=C(\CC)c1[nH]c(=O)ccc1N
InChIInChI=1S/C8H11N3O.C2H6/c1-2-5(9)8-6(10)3-4-7(12)11-8;1-2/h3-4,9H,2,10H2,1H3,(H,11,12);1-2H3/b9-5+;
InChIKeyNFSPSIGLACUSIW-SZKNIZGXSA-N
XLogP1.76
TPSA82.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-propyl-1H-pyridin-2-one
CID 91445651
N-cyclohexa-1,5-dien-1-yl-3-iminobutanamide
CID 91474215
6-ethyl-5-[(E)-C-ethyl-N-methoxycarbonimidoyl]-1H-pyridin-2-one
CID 135827460
6-Ethyl-5-[1-(Methoxyimino)propyl]-2(1H)-pyridinone
CID 136342783
3-ethanimidoyl-6-methyl-1H-pyridin-2-one
CID 136471031
ethane;5-ethenyl-6-ethyl-3-methyl-1H-pyrazin-2-one
CID 142953943
(3-Acetamido-6-iminocyclohexa-2,4-dien-1-ylidene)azanium
CID 144729121
5-amino-6-propanimidoyl-1H-pyridin-2-one
CID 145188084
5-amino-6-(2-methylpropanimidoyl)-1H-pyridin-2-one;molecular hydrogen
CID 145188442
N-(3,4-diiminocyclohexa-1,5-dien-1-yl)acetamide
CID 153709223
N-(5-diazocyclohexa-1,3-dien-1-yl)acetamide
CID 163840242
(6E)-6-ethylidene-5-iminopyridin-2-one
CID 166467918

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane?
The IUPAC name of 5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane (CID 145188394) is 5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane.
What is the SMILES notation for 5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane?
The canonical SMILES for 5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane is CC.[H]/N=C(\CC)c1[nH]c(=O)ccc1N.
What is the InChIKey of 5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane?
The InChIKey is NFSPSIGLACUSIW-SZKNIZGXSA-N. The full InChI is InChI=1S/C8H11N3O.C2H6/c1-2-5(9)8-6(10)3-4-7(12)11-8;1-2/h3-4,9H,2,10H2,1H3,(H,11,12);1-2H3/b9-5+;.
What are the key properties of 5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane?
5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane has a molecular weight of 195.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-propanimidoyl-1H-pyridin-2-one;ethane is sourced from PubChem (CID 145188394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).