2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal

C6H7NO3 — CID 144530415

IUPAC2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal
SMILESC=C(C=O)OC(=C)CN=O
InChIInChI=1S/C6H7NO3/c1-5(3-7-9)10-6(2)4-8/h4H,1-3H2
InChIKeyCPSNNFFSZIYYPQ-UHFFFAOYSA-N
MW141.13 g/mol
LogP1.00
Rot. Bonds5

About 2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal

2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal (PubChem CID 144530415) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal.

Molecular Properties

Compound Name2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal
PubChem CID144530415
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal
SMILESC=C(C=O)OC(=C)CN=O
InChIInChI=1S/C6H7NO3/c1-5(3-7-9)10-6(2)4-8/h4H,1-3H2
InChIKeyCPSNNFFSZIYYPQ-UHFFFAOYSA-N
XLogP1.00
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal?
The IUPAC name of 2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal (CID 144530415) is 2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal.
What is the SMILES notation for 2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal?
The canonical SMILES for 2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal is C=C(C=O)OC(=C)CN=O.
What is the InChIKey of 2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal?
The InChIKey is CPSNNFFSZIYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-5(3-7-9)10-6(2)4-8/h4H,1-3H2.
What are the key properties of 2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal?
2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal has a molecular weight of 141.13 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrosoprop-1-en-2-yloxy)prop-2-enal is sourced from PubChem (CID 144530415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).