N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine

C11H17N — CID 130217374

IUPACN-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine
SMILESC=C=NCC1CC1CC/C=C\C
InChIInChI=1S/C11H17N/c1-3-5-6-7-10-8-11(10)9-12-4-2/h3,5,10-11H,2,6-9H2,1H3/b5-3-
InChIKeyNQVKOAJFXBXVRI-HYXAFXHYSA-N
MW163.26 g/mol
LogP2.83
Rot. Bonds5

About N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine

N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine (PubChem CID 130217374) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine.

Molecular Properties

Compound NameN-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine
PubChem CID130217374
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine
SMILESC=C=NCC1CC1CC/C=C\C
InChIInChI=1S/C11H17N/c1-3-5-6-7-10-8-11(10)9-12-4-2/h3,5,10-11H,2,6-9H2,1H3/b5-3-
InChIKeyNQVKOAJFXBXVRI-HYXAFXHYSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine?
The IUPAC name of N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine (CID 130217374) is N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine.
What is the SMILES notation for N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine?
The canonical SMILES for N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine is C=C=NCC1CC1CC/C=C\C.
What is the InChIKey of N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine?
The InChIKey is NQVKOAJFXBXVRI-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-5-6-7-10-8-11(10)9-12-4-2/h3,5,10-11H,2,6-9H2,1H3/b5-3-.
What are the key properties of N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine?
N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine has a molecular weight of 163.26 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(Z)-pent-3-enyl]cyclopropyl]methyl]ethenimine is sourced from PubChem (CID 130217374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).