3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane

C11H17N3O — CID 171101140

IUPAC3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane
SMILESC/N=C/C(=C\N)c1ccc[nH]c1=O.CC
InChIInChI=1S/C9H11N3O.C2H6/c1-11-6-7(5-10)8-3-2-4-12-9(8)13;1-2/h2-6H,10H2,1H3,(H,12,13);1-2H3/b7-5+,11-6+;
InChIKeyZREWBDPYLSTJQF-WBNCZDIRSA-N
MW207.28 g/mol
LogP1.40
Rot. Bonds2

About 3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane

3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane (PubChem CID 171101140) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane
PubChem CID171101140
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane
SMILESC/N=C/C(=C\N)c1ccc[nH]c1=O.CC
InChIInChI=1S/C9H11N3O.C2H6/c1-11-6-7(5-10)8-3-2-4-12-9(8)13;1-2/h2-6H,10H2,1H3,(H,12,13);1-2H3/b7-5+,11-6+;
InChIKeyZREWBDPYLSTJQF-WBNCZDIRSA-N
XLogP1.40
TPSA71.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(aminomethylidene)-4-imino-3-[(Z)-prop-1-enyl]iminobutyl]-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
CID 173829071
3-(pentan-2-yliminomethyl)-1H-pyridin-2-one
CID 155930285
N-methyl-3H-pyridin-1-ium-4-carboxamide
CID 57064204
3-[2-(methylamino)ethyl]-1H-pyridin-2-one
CID 83872614
2H-pyrrolo[3,4-d][2]benzazepin-1-one
CID 88720920
(2E)-2-but-2-en-2-yl-N-[(E)-2-(propylideneamino)pent-1-enyl]hexa-2,4-dienamide
CID 123513841
3-prop-1-en-2-yl-1H-pyridin-2-one
CID 129079432
(2E,4Z)-N,4-dimethyl-2-(methyliminomethyl)hexa-2,4-dienamide
CID 132076820
(3E,4Z)-3-ethylidene-4-[(methylideneamino)methylidene]-1H-pyridin-2-one
CID 134259888
3-ethanimidoyl-1H-pyridin-2-one
CID 136373436
3-methanimidoyl-5-methyl-1H-pyridin-2-one
CID 136455739
2-[2-(2-oxo-1H-pyridin-3-yl)prop-2-enylideneamino]prop-2-enenitrile
CID 139381978

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane?
The IUPAC name of 3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane (CID 171101140) is 3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane.
What is the SMILES notation for 3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane?
The canonical SMILES for 3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane is C/N=C/C(=C\N)c1ccc[nH]c1=O.CC.
What is the InChIKey of 3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane?
The InChIKey is ZREWBDPYLSTJQF-WBNCZDIRSA-N. The full InChI is InChI=1S/C9H11N3O.C2H6/c1-11-6-7(5-10)8-3-2-4-12-9(8)13;1-2/h2-6H,10H2,1H3,(H,12,13);1-2H3/b7-5+,11-6+;.
What are the key properties of 3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane?
3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane has a molecular weight of 207.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-1H-pyridin-2-one;ethane is sourced from PubChem (CID 171101140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).