3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one

C8H10N2O — CID 118287089

IUPAC3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one
SMILES[H]/N=C/C1=C(/C=C\C)C(=O)NC1
InChIInChI=1S/C8H10N2O/c1-2-3-7-6(4-9)5-10-8(7)11/h2-4,9H,5H2,1H3,(H,10,11)/b3-2-,9-4+
InChIKeyBNJKADSEEUNRFH-SEEXIRIMSA-N
MW150.18 g/mol
LogP0.64
Rot. Bonds2

About 3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one

3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one (PubChem CID 118287089) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one
PubChem CID118287089
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one
SMILES[H]/N=C/C1=C(/C=C\C)C(=O)NC1
InChIInChI=1S/C8H10N2O/c1-2-3-7-6(4-9)5-10-8(7)11/h2-4,9H,5H2,1H3,(H,10,11)/b3-2-,9-4+
InChIKeyBNJKADSEEUNRFH-SEEXIRIMSA-N
XLogP0.64
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one (CID 118287089) is 3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one is [H]/N=C/C1=C(/C=C\C)C(=O)NC1.
What is the InChIKey of 3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
The InChIKey is BNJKADSEEUNRFH-SEEXIRIMSA-N. The full InChI is InChI=1S/C8H10N2O/c1-2-3-7-6(4-9)5-10-8(7)11/h2-4,9H,5H2,1H3,(H,10,11)/b3-2-,9-4+.
What are the key properties of 3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one?
3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one has a molecular weight of 150.18 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-4-[(Z)-prop-1-enyl]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 118287089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).