2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal

C7H10N2O — CID 89483958

IUPAC2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal
SMILESC/C=C\N=C\C(C=O)=N\C
InChIInChI=1S/C7H10N2O/c1-3-4-9-5-7(6-10)8-2/h3-6H,1-2H3/b4-3-,8-7-,9-5+
InChIKeyYGOGHCMIHPMTGT-WRMZZBRLSA-N
MW138.17 g/mol
LogP0.86
Rot. Bonds3

About 2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal

2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal (PubChem CID 89483958) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal.

Molecular Properties

Compound Name2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal
PubChem CID89483958
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal
SMILESC/C=C\N=C\C(C=O)=N\C
InChIInChI=1S/C7H10N2O/c1-3-4-9-5-7(6-10)8-2/h3-6H,1-2H3/b4-3-,8-7-,9-5+
InChIKeyYGOGHCMIHPMTGT-WRMZZBRLSA-N
XLogP0.86
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal?
The IUPAC name of 2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal (CID 89483958) is 2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal.
What is the SMILES notation for 2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal?
The canonical SMILES for 2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal is C/C=C\N=C\C(C=O)=N\C.
What is the InChIKey of 2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal?
The InChIKey is YGOGHCMIHPMTGT-WRMZZBRLSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-4-9-5-7(6-10)8-2/h3-6H,1-2H3/b4-3-,8-7-,9-5+.
What are the key properties of 2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal?
2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal has a molecular weight of 138.17 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-3-[(Z)-prop-1-enyl]iminopropanal is sourced from PubChem (CID 89483958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).