N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine

C11H18N2 — CID 134286718

IUPACN-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine
SMILESC=CC1=C(/N=C/C)CN(C(C)C)C1
InChIInChI=1S/C11H18N2/c1-5-10-7-13(9(3)4)8-11(10)12-6-2/h5-6,9H,1,7-8H2,2-4H3/b12-6+
InChIKeyCOXRYMNVQVESDM-WUXMJOGZSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds3

About N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine

N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine (PubChem CID 134286718) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine.

Molecular Properties

Compound NameN-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine
PubChem CID134286718
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine
SMILESC=CC1=C(/N=C/C)CN(C(C)C)C1
InChIInChI=1S/C11H18N2/c1-5-10-7-13(9(3)4)8-11(10)12-6-2/h5-6,9H,1,7-8H2,2-4H3/b12-6+
InChIKeyCOXRYMNVQVESDM-WUXMJOGZSA-N
XLogP2.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.24
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-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine?
The IUPAC name of N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine (CID 134286718) is N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine.
What is the SMILES notation for N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine?
The canonical SMILES for N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine is C=CC1=C(/N=C/C)CN(C(C)C)C1.
What is the InChIKey of N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine?
The InChIKey is COXRYMNVQVESDM-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-10-7-13(9(3)4)8-11(10)12-6-2/h5-6,9H,1,7-8H2,2-4H3/b12-6+.
What are the key properties of N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine?
N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine has a molecular weight of 178.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-1-propan-2-yl-2,5-dihydropyrrol-3-yl)ethanimine is sourced from PubChem (CID 134286718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).