1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine

C13H16N2 — CID 66409750

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1Cc2ccccc21
InChIInChI=1S/C13H16N2/c14-13-6-3-7-15(13)9-11-8-10-4-1-2-5-12(10)11/h1-2,4-5,11,14H,3,6-9H2/b14-13+
InChIKeyZFNPIHZLEZPZNN-BUHFOSPRSA-N
MW200.29 g/mol
LogP2.40
Rot. Bonds2

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine (PubChem CID 66409750) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine
PubChem CID66409750
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CC1Cc2ccccc21
InChIInChI=1S/C13H16N2/c14-13-6-3-7-15(13)9-11-8-10-4-1-2-5-12(10)11/h1-2,4-5,11,14H,3,6-9H2/b14-13+
InChIKeyZFNPIHZLEZPZNN-BUHFOSPRSA-N
XLogP2.40
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-imine
CID 66409968
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrolidin-2-imine
CID 62232656
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,4-dihydro-2H-quinolin-7-amine
CID 66419132
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 66394316
1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-2-imine
CID 107853052
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydroindol-5-amine
CID 66417575
1-(cycloheptylmethyl)pyrrolidin-2-imine
CID 131007201
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-4-carboximidamide
CID 66419716
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(bromomethyl)azepane
CID 116638369
1-[(2-ethylphenyl)methyl]pyrrolidin-2-imine
CID 64695514
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914520
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)azepan-2-imine
CID 67572582

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine (CID 66409750) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CC1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine?
The InChIKey is ZFNPIHZLEZPZNN-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H16N2/c14-13-6-3-7-15(13)9-11-8-10-4-1-2-5-12(10)11/h1-2,4-5,11,14H,3,6-9H2/b14-13+.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine has a molecular weight of 200.29 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyrrolidin-2-imine is sourced from PubChem (CID 66409750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).