1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine

C8H11N — CID 145362003

IUPAC1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine
SMILESC/C=C\C=C/C1=CN1C
InChIInChI=1S/C8H11N/c1-3-4-5-6-8-7-9(8)2/h3-7H,1-2H3/b4-3-,6-5-
InChIKeyXNEORNAPTLYFTI-OUPQRBNQSA-N
MW121.18 g/mol
LogP1.91
Rot. Bonds2

About 1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine

1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine (PubChem CID 145362003) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine.

Molecular Properties

Compound Name1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine
PubChem CID145362003
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine
SMILESC/C=C\C=C/C1=CN1C
InChIInChI=1S/C8H11N/c1-3-4-5-6-8-7-9(8)2/h3-7H,1-2H3/b4-3-,6-5-
InChIKeyXNEORNAPTLYFTI-OUPQRBNQSA-N
XLogP1.91
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-hexa-2,4-diene
CID 22435466
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene
CID 142902876
5-penta-1,3-dienyl-1,2-oxazole
CID 173339902
ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine
CID 142113019
2-penta-1,3-dienylphenol
CID 141162259
1,2,3-trifluoro-5-[(1E,3E)-penta-1,3-dienyl]benzene
CID 138978580
5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal
CID 155487828
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
potassium;hexa-2,4-diene;hydride
CID 174550949
1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene
CID 175734121

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine?
The IUPAC name of 1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine (CID 145362003) is 1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine.
What is the SMILES notation for 1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine?
The canonical SMILES for 1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine is C/C=C\C=C/C1=CN1C.
What is the InChIKey of 1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine?
The InChIKey is XNEORNAPTLYFTI-OUPQRBNQSA-N. The full InChI is InChI=1S/C8H11N/c1-3-4-5-6-8-7-9(8)2/h3-7H,1-2H3/b4-3-,6-5-.
What are the key properties of 1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine?
1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine has a molecular weight of 121.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]azirine is sourced from PubChem (CID 145362003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).