2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete

C11H17N — CID 164962160

IUPAC2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete
SMILESC/C=C/CC1(C2N=CC2C)CC1
InChIInChI=1S/C11H17N/c1-3-4-5-11(6-7-11)10-9(2)8-12-10/h3-4,8-10H,5-7H2,1-2H3/b4-3+
InChIKeyBZIVIJNPZIXZRS-ONEGZZNKSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds3

About 2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete

2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete (PubChem CID 164962160) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete.

Molecular Properties

Compound Name2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete
PubChem CID164962160
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete
SMILESC/C=C/CC1(C2N=CC2C)CC1
InChIInChI=1S/C11H17N/c1-3-4-5-11(6-7-11)10-9(2)8-12-10/h3-4,8-10H,5-7H2,1-2H3/b4-3+
InChIKeyBZIVIJNPZIXZRS-ONEGZZNKSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(fluoromethyl)-2-oct-4-enylcyclopropyl]propan-1-imine
CID 123410796
(4Z,8Z)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 20436107
(4Z,8Z)-11,11-diethyl-2-pentan-3-yl-1-azacyclododeca-4,8,12-triene
CID 20436120
(4Z,8Z)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 20537987
(4E,8E)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 22811540
(4E,8E)-11,11-diethyl-2-pentan-3-yl-1-azacyclododeca-4,8,12-triene
CID 22811543
(4E,8E)-2-tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 22811545
11-Methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 53803190
3,3-Diethyl-12-(3-pentyl)-1-aza-1,5,9-cyclododecatriene
CID 54476121
2-Tert-butyl-11-methyl-1-azacyclododeca-4,8,12-triene
CID 57087163
2,3-ditert-butyl-3-methyl-2H-pyridine
CID 67707010
2-(3-Methylbutan-2-yl)-1-azacyclododeca-4,8,12-triene
CID 70531114

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete?
The IUPAC name of 2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete (CID 164962160) is 2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete.
What is the SMILES notation for 2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete?
The canonical SMILES for 2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete is C/C=C/CC1(C2N=CC2C)CC1.
What is the InChIKey of 2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete?
The InChIKey is BZIVIJNPZIXZRS-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H17N/c1-3-4-5-11(6-7-11)10-9(2)8-12-10/h3-4,8-10H,5-7H2,1-2H3/b4-3+.
What are the key properties of 2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete?
2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete has a molecular weight of 163.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-but-2-enyl]cyclopropyl]-3-methyl-2,3-dihydroazete is sourced from PubChem (CID 164962160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).