(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine

C13H20N2 — CID 170260643

IUPAC(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine
SMILESC=C/C=C1/CCN(C(C)(C)C)/C1=N/C=C
InChIInChI=1S/C13H20N2/c1-6-8-11-9-10-15(13(3,4)5)12(11)14-7-2/h6-8H,1-2,9-10H2,3-5H3/b11-8-,14-12+
InChIKeyOKZUCJZNXONEIE-RIUSXJRMSA-N
MW204.32 g/mol
LogP3.14
Rot. Bonds2

About (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine

(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine (PubChem CID 170260643) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine.

Molecular Properties

Compound Name(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine
PubChem CID170260643
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine
SMILESC=C/C=C1/CCN(C(C)(C)C)/C1=N/C=C
InChIInChI=1S/C13H20N2/c1-6-8-11-9-10-15(13(3,4)5)12(11)14-7-2/h6-8H,1-2,9-10H2,3-5H3/b11-8-,14-12+
InChIKeyOKZUCJZNXONEIE-RIUSXJRMSA-N
XLogP3.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine?
The IUPAC name of (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine (CID 170260643) is (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine.
What is the SMILES notation for (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine?
The canonical SMILES for (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine is C=C/C=C1/CCN(C(C)(C)C)/C1=N/C=C.
What is the InChIKey of (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine?
The InChIKey is OKZUCJZNXONEIE-RIUSXJRMSA-N. The full InChI is InChI=1S/C13H20N2/c1-6-8-11-9-10-15(13(3,4)5)12(11)14-7-2/h6-8H,1-2,9-10H2,3-5H3/b11-8-,14-12+.
What are the key properties of (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine?
(3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine has a molecular weight of 204.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-tert-butyl-N-ethenyl-3-prop-2-enylidenepyrrolidin-2-imine is sourced from PubChem (CID 170260643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).