1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene

C9H11NO — CID 126687455

IUPAC1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene
SMILESC=C/C=C\C1=C(N=O)CCC1
InChIInChI=1S/C9H11NO/c1-2-3-5-8-6-4-7-9(8)10-11/h2-3,5H,1,4,6-7H2/b5-3-
InChIKeyBVBHTBVFUZQRSF-HYXAFXHYSA-N
MW149.19 g/mol
LogP2.93
Rot. Bonds3

About 1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene

1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene (PubChem CID 126687455) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene
PubChem CID126687455
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene
SMILESC=C/C=C\C1=C(N=O)CCC1
InChIInChI=1S/C9H11NO/c1-2-3-5-8-6-4-7-9(8)10-11/h2-3,5H,1,4,6-7H2/b5-3-
InChIKeyBVBHTBVFUZQRSF-HYXAFXHYSA-N
XLogP2.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene (CID 126687455) is 1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene is C=C/C=C\C1=C(N=O)CCC1.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene?
The InChIKey is BVBHTBVFUZQRSF-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-3-5-8-6-4-7-9(8)10-11/h2-3,5H,1,4,6-7H2/b5-3-.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene?
1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene has a molecular weight of 149.19 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-2-nitrosocyclopentene is sourced from PubChem (CID 126687455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).