4-nitrosohepta-1,6-diene

C7H11NO — CID 57286056

IUPAC4-nitrosohepta-1,6-diene
SMILESC=CCC(CC=C)N=O
InChIInChI=1S/C7H11NO/c1-3-5-7(8-9)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyWFSBPYRIGGCDJD-UHFFFAOYSA-N
MW125.17 g/mol
LogP2.27
Rot. Bonds5

About 4-nitrosohepta-1,6-diene

4-nitrosohepta-1,6-diene (PubChem CID 57286056) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-nitrosohepta-1,6-diene.

Molecular Properties

Compound Name4-nitrosohepta-1,6-diene
PubChem CID57286056
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-nitrosohepta-1,6-diene
SMILESC=CCC(CC=C)N=O
InChIInChI=1S/C7H11NO/c1-3-5-7(8-9)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyWFSBPYRIGGCDJD-UHFFFAOYSA-N
XLogP2.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-aminopent-4-enal
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3-prop-2-enylhexa-1,5-dien-2-ylsilane
CID 173001992
(4R)-4-azidonona-1,8-diene
CID 52952538
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Frequently Asked Questions

What is the IUPAC name of 4-nitrosohepta-1,6-diene?
The IUPAC name of 4-nitrosohepta-1,6-diene (CID 57286056) is 4-nitrosohepta-1,6-diene.
What is the SMILES notation for 4-nitrosohepta-1,6-diene?
The canonical SMILES for 4-nitrosohepta-1,6-diene is C=CCC(CC=C)N=O.
What is the InChIKey of 4-nitrosohepta-1,6-diene?
The InChIKey is WFSBPYRIGGCDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-5-7(8-9)6-4-2/h3-4,7H,1-2,5-6H2.
What are the key properties of 4-nitrosohepta-1,6-diene?
4-nitrosohepta-1,6-diene has a molecular weight of 125.17 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrosohepta-1,6-diene is sourced from PubChem (CID 57286056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).