N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine

C11H18N2 — CID 170408151

IUPACN-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine
SMILESC=N/C=C(/C)C1C(CC)=CNC1C
InChIInChI=1S/C11H18N2/c1-5-10-7-13-9(3)11(10)8(2)6-12-4/h6-7,9,11,13H,4-5H2,1-3H3/b8-6-
InChIKeyMRJDUEXCDXZEPO-VURMDHGXSA-N
MW178.28 g/mol
LogP2.49
Rot. Bonds3

About N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine

N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine (PubChem CID 170408151) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine
PubChem CID170408151
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine
SMILESC=N/C=C(/C)C1C(CC)=CNC1C
InChIInChI=1S/C11H18N2/c1-5-10-7-13-9(3)11(10)8(2)6-12-4/h6-7,9,11,13H,4-5H2,1-3H3/b8-6-
InChIKeyMRJDUEXCDXZEPO-VURMDHGXSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
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)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine?
The IUPAC name of N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine (CID 170408151) is N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine?
The canonical SMILES for N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine is C=N/C=C(/C)C1C(CC)=CNC1C.
What is the InChIKey of N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine?
The InChIKey is MRJDUEXCDXZEPO-VURMDHGXSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-10-7-13-9(3)11(10)8(2)6-12-4/h6-7,9,11,13H,4-5H2,1-3H3/b8-6-.
What are the key properties of N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine?
N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine has a molecular weight of 178.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-ethyl-2-methyl-2,3-dihydro-1H-pyrrol-3-yl)prop-1-enyl]methanimine is sourced from PubChem (CID 170408151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).