2-(ethylideneamino)prop-2-enal

C5H7NO — CID 123382731

IUPAC2-(ethylideneamino)prop-2-enal
SMILESC=C(C=O)/N=C/C
InChIInChI=1S/C5H7NO/c1-3-6-5(2)4-7/h3-4H,2H2,1H3/b6-3+
InChIKeyDNXFTMJGNSZJIR-ZZXKWVIFSA-N
MW97.12 g/mol
LogP0.79
Rot. Bonds2

About 2-(ethylideneamino)prop-2-enal

2-(ethylideneamino)prop-2-enal (PubChem CID 123382731) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2-(ethylideneamino)prop-2-enal.

Molecular Properties

Compound Name2-(ethylideneamino)prop-2-enal
PubChem CID123382731
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name2-(ethylideneamino)prop-2-enal
SMILESC=C(C=O)/N=C/C
InChIInChI=1S/C5H7NO/c1-3-6-5(2)4-7/h3-4H,2H2,1H3/b6-3+
InChIKeyDNXFTMJGNSZJIR-ZZXKWVIFSA-N
XLogP0.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.79
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-(ethylideneamino)prop-2-enal?
The IUPAC name of 2-(ethylideneamino)prop-2-enal (CID 123382731) is 2-(ethylideneamino)prop-2-enal.
What is the SMILES notation for 2-(ethylideneamino)prop-2-enal?
The canonical SMILES for 2-(ethylideneamino)prop-2-enal is C=C(C=O)/N=C/C.
What is the InChIKey of 2-(ethylideneamino)prop-2-enal?
The InChIKey is DNXFTMJGNSZJIR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H7NO/c1-3-6-5(2)4-7/h3-4H,2H2,1H3/b6-3+.
What are the key properties of 2-(ethylideneamino)prop-2-enal?
2-(ethylideneamino)prop-2-enal has a molecular weight of 97.12 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)prop-2-enal is sourced from PubChem (CID 123382731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).