N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine

C11H20N2 — CID 143974428

IUPACN-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine
SMILESC/C=C(C)\N=C(/C)C1CCCN1C
InChIInChI=1S/C11H20N2/c1-5-9(2)12-10(3)11-7-6-8-13(11)4/h5,11H,6-8H2,1-4H3/b9-5-,12-10+
InChIKeyVQTSHHCJHVGGBJ-VVVIWDQOSA-N
MW180.29 g/mol
LogP2.47
Rot. Bonds2

About N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine

N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine (PubChem CID 143974428) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine
PubChem CID143974428
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine
SMILESC/C=C(C)\N=C(/C)C1CCCN1C
InChIInChI=1S/C11H20N2/c1-5-9(2)12-10(3)11-7-6-8-13(11)4/h5,11H,6-8H2,1-4H3/b9-5-,12-10+
InChIKeyVQTSHHCJHVGGBJ-VVVIWDQOSA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine (CID 143974428) is N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine is C/C=C(C)\N=C(/C)C1CCCN1C.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine?
The InChIKey is VQTSHHCJHVGGBJ-VVVIWDQOSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-9(2)12-10(3)11-7-6-8-13(11)4/h5,11H,6-8H2,1-4H3/b9-5-,12-10+.
What are the key properties of N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine?
N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine has a molecular weight of 180.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-1-(1-methylpyrrolidin-2-yl)ethanimine is sourced from PubChem (CID 143974428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).