2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal

C9H11NO — CID 134569787

IUPAC2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal
SMILESC=C/C(=N\C=C/C)C(=C)C=O
InChIInChI=1S/C9H11NO/c1-4-6-10-9(5-2)8(3)7-11/h4-7H,2-3H2,1H3/b6-4-,10-9+
InChIKeyLNNJOHAAUVSXTB-JWUZIXNGSA-N
MW149.19 g/mol
LogP1.90
Rot. Bonds4

About 2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal

2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal (PubChem CID 134569787) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal.

Molecular Properties

Compound Name2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal
PubChem CID134569787
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal
SMILESC=C/C(=N\C=C/C)C(=C)C=O
InChIInChI=1S/C9H11NO/c1-4-6-10-9(5-2)8(3)7-11/h4-7H,2-3H2,1H3/b6-4-,10-9+
InChIKeyLNNJOHAAUVSXTB-JWUZIXNGSA-N
XLogP1.90
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal?
The IUPAC name of 2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal (CID 134569787) is 2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal.
What is the SMILES notation for 2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal?
The canonical SMILES for 2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal is C=C/C(=N\C=C/C)C(=C)C=O.
What is the InChIKey of 2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal?
The InChIKey is LNNJOHAAUVSXTB-JWUZIXNGSA-N. The full InChI is InChI=1S/C9H11NO/c1-4-6-10-9(5-2)8(3)7-11/h4-7H,2-3H2,1H3/b6-4-,10-9+.
What are the key properties of 2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal?
2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal has a molecular weight of 149.19 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-[(Z)-prop-1-enyl]iminopent-4-enal is sourced from PubChem (CID 134569787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).