2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine

C11H18N2 — CID 166696869

IUPAC2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C(/C=N/C=C\C)[C@@H]1CCCN1C
InChIInChI=1S/C11H18N2/c1-4-7-12-9-10(2)11-6-5-8-13(11)3/h4,7,9,11H,2,5-6,8H2,1,3H3/b7-4-,12-9+/t11-/m0/s1
InChIKeyPYEJXBHPUDLTCB-PSXFYSAPSA-N
MW178.28 g/mol
LogP2.24
Rot. Bonds3

About 2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine

2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (PubChem CID 166696869) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
PubChem CID166696869
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C(/C=N/C=C\C)[C@@H]1CCCN1C
InChIInChI=1S/C11H18N2/c1-4-7-12-9-10(2)11-6-5-8-13(11)3/h4,7,9,11H,2,5-6,8H2,1,3H3/b7-4-,12-9+/t11-/m0/s1
InChIKeyPYEJXBHPUDLTCB-PSXFYSAPSA-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 2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The IUPAC name of 2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (CID 166696869) is 2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is C=C(/C=N/C=C\C)[C@@H]1CCCN1C.
What is the InChIKey of 2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The InChIKey is PYEJXBHPUDLTCB-PSXFYSAPSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-7-12-9-10(2)11-6-5-8-13(11)3/h4,7,9,11H,2,5-6,8H2,1,3H3/b7-4-,12-9+/t11-/m0/s1.
What are the key properties of 2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine 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 2-[(2S)-1-methylpyrrolidin-2-yl]-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 166696869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).