1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine

C11H15N3O — CID 22723762

IUPAC1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESCOC1=C(N2CCCC2)C=CC(=[N+]=[N-])C1
InChIInChI=1S/C11H15N3O/c1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14/h4-5H,2-3,6-8H2,1H3
InChIKeyQHIGBUQIFLDZPZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine

1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine (PubChem CID 22723762) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine
PubChem CID22723762
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESCOC1=C(N2CCCC2)C=CC(=[N+]=[N-])C1
InChIInChI=1S/C11H15N3O/c1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14/h4-5H,2-3,6-8H2,1H3
InChIKeyQHIGBUQIFLDZPZ-UHFFFAOYSA-N
XLogP1.57
TPSA48.87 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine?
The IUPAC name of 1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine (CID 22723762) is 1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine.
What is the SMILES notation for 1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine?
The canonical SMILES for 1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine is COC1=C(N2CCCC2)C=CC(=[N+]=[N-])C1.
What is the InChIKey of 1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine?
The InChIKey is QHIGBUQIFLDZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine?
1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine has a molecular weight of 205.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-diazo-2-methoxycyclohexa-1,5-dien-1-yl)pyrrolidine is sourced from PubChem (CID 22723762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).