1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one

C9H17N5O — CID 144842058

IUPAC1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one
SMILES[H]/N=C(C(=C/NC)\NC)/N1CCN(C)C1=O
InChIInChI=1S/C9H17N5O/c1-11-6-7(12-2)8(10)14-5-4-13(3)9(14)15/h6,10-12H,4-5H2,1-3H3/b7-6+,10-8+
InChIKeyHVHPWMOLLHKXOR-LQPGMRSMSA-N
MW211.27 g/mol
LogP-0.39
Rot. Bonds3

About 1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one

1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one (PubChem CID 144842058) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one
PubChem CID144842058
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one
SMILES[H]/N=C(C(=C/NC)\NC)/N1CCN(C)C1=O
InChIInChI=1S/C9H17N5O/c1-11-6-7(12-2)8(10)14-5-4-13(3)9(14)15/h6,10-12H,4-5H2,1-3H3/b7-6+,10-8+
InChIKeyHVHPWMOLLHKXOR-LQPGMRSMSA-N
XLogP-0.39
TPSA71.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Imino-4-methylidene-1-(2-methylprop-1-enyl)imidazolidin-2-one
CID 20067644
5-Imino-4-methylidene-1-propylimidazolidin-2-one
CID 21653363
1-(2,2-Dimethylpropyl)-5-imino-4-methylideneimidazolidin-2-one
CID 53881706
1-[(Z)-3-(methylamino)prop-2-enimidoyl]imidazolidin-2-one
CID 136635013
5-Imino-4-methylidene-1-(2-methylpropyl)imidazolidin-2-one
CID 139655197
1-Hexyl-4-imino-5-methylideneimidazolidin-2-one
CID 140355103
4-Imino-5-methylidene-1-propan-2-ylimidazolidin-2-one
CID 140355110
[amino-(3-methyl-2-oxo-1H-imidazol-5-yl)methylidene]azanium
CID 10511499
1-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboximidamide
CID 45087828

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one (CID 144842058) is 1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one is [H]/N=C(C(=C/NC)\NC)/N1CCN(C)C1=O.
What is the InChIKey of 1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one?
The InChIKey is HVHPWMOLLHKXOR-LQPGMRSMSA-N. The full InChI is InChI=1S/C9H17N5O/c1-11-6-7(12-2)8(10)14-5-4-13(3)9(14)15/h6,10-12H,4-5H2,1-3H3/b7-6+,10-8+.
What are the key properties of 1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one?
1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one has a molecular weight of 211.27 g/mol, XLogP of -0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-bis(methylamino)prop-2-enimidoyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 144842058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).