2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine

C7H11N — CID 163615440

IUPAC2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine
SMILES[H]/N=C/C[C@@]12CC[C@@H]1C2
InChIInChI=1S/C7H11N/c8-4-3-7-2-1-6(7)5-7/h4,6,8H,1-3,5H2/b8-4+/t6-,7-/m1/s1
InChIKeyHJOLPVIIRKYGFX-KFGJBHQHSA-N
MW109.17 g/mol
LogP1.83
Rot. Bonds2

About 2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine

2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine (PubChem CID 163615440) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine.

Molecular Properties

Compound Name2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine
PubChem CID163615440
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine
SMILES[H]/N=C/C[C@@]12CC[C@@H]1C2
InChIInChI=1S/C7H11N/c8-4-3-7-2-1-6(7)5-7/h4,6,8H,1-3,5H2/b8-4+/t6-,7-/m1/s1
InChIKeyHJOLPVIIRKYGFX-KFGJBHQHSA-N
XLogP1.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.83
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

2-(1-tricyclo[3.3.0.03,7]octanyl)ethanimine
CID 156880564
2-[5-(2-iminoethyl)-5-methyloxolan-2-yl]propan-2-ol
CID 123772193
methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate
CID 171036863
2-cyclobutylethanimine
CID 123915190
1-ethylbicyclo[2.2.0]hexane
CID 90977886
1-(iodomethyl)bicyclo[3.1.0]hexane
CID 147683583
2-(2-iminoethyl)-1-(6-iminohexyl)cyclopropane-1-carboxylic acid
CID 157439689
2-(1-bicyclo[3.1.0]hexanyl)ethanamine
CID 21391834
5-(1-bicyclo[2.1.0]pentanyl)pentan-2-yl-trimethoxysilane
CID 70169859
3-iminopropane-1,1-diamine
CID 123272207
3-(1-bicyclo[3.1.0]hexanyl)propan-1-ol
CID 90022517
3-(1-bicyclo[3.1.0]hexanyl)propan-1-amine
CID 21392679

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine?
The IUPAC name of 2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine (CID 163615440) is 2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine.
What is the SMILES notation for 2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine?
The canonical SMILES for 2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine is [H]/N=C/C[C@@]12CC[C@@H]1C2.
What is the InChIKey of 2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine?
The InChIKey is HJOLPVIIRKYGFX-KFGJBHQHSA-N. The full InChI is InChI=1S/C7H11N/c8-4-3-7-2-1-6(7)5-7/h4,6,8H,1-3,5H2/b8-4+/t6-,7-/m1/s1.
What are the key properties of 2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine?
2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine has a molecular weight of 109.17 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R)-1-bicyclo[2.1.0]pentanyl]ethanimine is sourced from PubChem (CID 163615440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).