2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone

C18H26N4O2 — CID 123846506

IUPAC2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone
SMILES[N-]=[N+]=CC(=O)C1(CCCCCCCCC2(C(=O)C=[N+]=[N-])CC2)CC1
InChIInChI=1S/C18H26N4O2/c19-21-13-15(23)17(9-10-17)7-5-3-1-2-4-6-8-18(11-12-18)16(24)14-22-20/h13-14H,1-12H2
InChIKeyURFQWRYYEQGRJL-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.41
Rot. Bonds13

About 2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone

2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone (PubChem CID 123846506) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone
PubChem CID123846506
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone
SMILES[N-]=[N+]=CC(=O)C1(CCCCCCCCC2(C(=O)C=[N+]=[N-])CC2)CC1
InChIInChI=1S/C18H26N4O2/c19-21-13-15(23)17(9-10-17)7-5-3-1-2-4-6-8-18(11-12-18)16(24)14-22-20/h13-14H,1-12H2
InChIKeyURFQWRYYEQGRJL-UHFFFAOYSA-N
XLogP3.41
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone?
The IUPAC name of 2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone (CID 123846506) is 2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone.
What is the SMILES notation for 2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone?
The canonical SMILES for 2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone is [N-]=[N+]=CC(=O)C1(CCCCCCCCC2(C(=O)C=[N+]=[N-])CC2)CC1.
What is the InChIKey of 2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone?
The InChIKey is URFQWRYYEQGRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c19-21-13-15(23)17(9-10-17)7-5-3-1-2-4-6-8-18(11-12-18)16(24)14-22-20/h13-14H,1-12H2.
What are the key properties of 2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone?
2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 3.41, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1-[1-[8-[1-(2-diazoacetyl)cyclopropyl]octyl]cyclopropyl]ethanone is sourced from PubChem (CID 123846506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).