1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane

C9H15N — CID 143400629

IUPAC1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane
SMILESC/C=C(\C)C12CNCC1C2
InChIInChI=1S/C9H15N/c1-3-7(2)9-4-8(9)5-10-6-9/h3,8,10H,4-6H2,1-2H3/b7-3+
InChIKeyWSUOKIRVXGFSLQ-XVNBXDOJSA-N
MW137.23 g/mol
LogP1.56
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane

1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane (PubChem CID 143400629) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane
PubChem CID143400629
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane
SMILESC/C=C(\C)C12CNCC1C2
InChIInChI=1S/C9H15N/c1-3-7(2)9-4-8(9)5-10-6-9/h3,8,10H,4-6H2,1-2H3/b7-3+
InChIKeyWSUOKIRVXGFSLQ-XVNBXDOJSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 118108637
methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 140675446
1-[(1R,6S)-3-azabicyclo[4.1.0]heptan-6-yl]ethanone
CID 118681176
2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride
CID 170913208
1-(3-azabicyclo[3.1.0]hexan-1-yl)-N-methylmethanimine
CID 123404478
(1R)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 171036424
methyl (1S,6S)-3-azabicyclo[4.1.0]heptane-6-carboxylate;hydrochloride
CID 135382656
1-bromo-3-azabicyclo[3.1.0]hexane
CID 151929909
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
CID 177136763
5-methyl-3-azabicyclo[3.2.0]heptan-6-ol
CID 139417373
1-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one;tert-butyl (1S,5S)-1-propanoyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 163536346
2-(3-azabicyclo[3.1.0]hexane-1-carboximidoyl)-6-chloroaniline
CID 168941575

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane (CID 143400629) is 1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane is C/C=C(\C)C12CNCC1C2.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is WSUOKIRVXGFSLQ-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H15N/c1-3-7(2)9-4-8(9)5-10-6-9/h3,8,10H,4-6H2,1-2H3/b7-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane?
1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 137.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 143400629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).