1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one

C14H20N2O2 — CID 135501609

IUPAC1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one
SMILESC=CCCCCC(=O)[C@H]1CCC[C@H]1C(=O)C=[N+]=[N-]
InChIInChI=1S/C14H20N2O2/c1-2-3-4-5-9-13(17)11-7-6-8-12(11)14(18)10-16-15/h2,10-12H,1,3-9H2/t11-,12+/m0/s1
InChIKeySMNSQZOYIVBOGK-NWDGAFQWSA-N
MW248.33 g/mol
LogP2.59
Rot. Bonds8

About 1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one

1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one (PubChem CID 135501609) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one
PubChem CID135501609
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one
SMILESC=CCCCCC(=O)[C@H]1CCC[C@H]1C(=O)C=[N+]=[N-]
InChIInChI=1S/C14H20N2O2/c1-2-3-4-5-9-13(17)11-7-6-8-12(11)14(18)10-16-15/h2,10-12H,1,3-9H2/t11-,12+/m0/s1
InChIKeySMNSQZOYIVBOGK-NWDGAFQWSA-N
XLogP2.59
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.59
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
CID 171937877
1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)non-8-en-1-one
CID 171945402
1-(thiolan-2-yl)oct-7-en-1-one
CID 57023203
1-piperidin-3-yloct-7-en-1-one
CID 107010785
1-(azepan-2-yl)oct-7-en-1-one
CID 107010905
tricosa-1,22-dien-12-one
CID 86210796
(3S)-3-undec-10-enoylpiperidin-2-one
CID 66893406
1-(oxolan-3-yl)oct-7-en-1-one
CID 107008260
2-hept-6-enylcyclohexane-1-carboxylic acid
CID 107010655
1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one
CID 171941663
iron(2+);bis(undec-10-enoate)
CID 89315244
cobalt;undec-10-enoate
CID 160733678

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one?
The IUPAC name of 1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one (CID 135501609) is 1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one.
What is the SMILES notation for 1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one?
The canonical SMILES for 1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one is C=CCCCCC(=O)[C@H]1CCC[C@H]1C(=O)C=[N+]=[N-].
What is the InChIKey of 1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one?
The InChIKey is SMNSQZOYIVBOGK-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-4-5-9-13(17)11-7-6-8-12(11)14(18)10-16-15/h2,10-12H,1,3-9H2/t11-,12+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one?
1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one has a molecular weight of 248.33 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(2-diazoacetyl)cyclopentyl]hept-6-en-1-one is sourced from PubChem (CID 135501609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).